ChemSpider 2D Image | 2-{(2S)-1-[(4-butoxyphenyl)sulfonyl]piperidin-2-yl}-N-{(1R)-6-[(tert-butylamino)methyl]-1,2,3,4-tetrahydronaphthalen-1-yl}acetamide | C32H47N3O4S

2-{(2S)-1-[(4-butoxyphenyl)sulfonyl]piperidin-2-yl}-N-{(1R)-6-[(tert-butylamino)methyl]-1,2,3,4-tetrahydronaphthalen-1-yl}acetamide

  • Molecular FormulaC32H47N3O4S
  • Average mass569.798 Da
  • Monoisotopic mass569.328735 Da
  • ChemSpider ID23269221

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

2-{(2S)-1-[(4-Butoxyphényl)sulfonyl]-2-pipéridinyl}-N-[(1R)-6-{[(2-méthyl-2-propanyl)amino]méthyl}-1,2,3,4-tétrahydro-1-naphtalényl]acétamide [French] [ACD/IUPAC Name]
2-{(2S)-1-[(4-Butoxyphenyl)sulfonyl]-2-piperidinyl}-N-[(1R)-6-{[(2-methyl-2-propanyl)amino]methyl}-1,2,3,4-tetrahydro-1-naphthalenyl]acetamide [ACD/IUPAC Name]
2-{(2S)-1-[(4-Butoxyphenyl)sulfonyl]-2-piperidinyl}-N-[(1R)-6-{[(2-methyl-2-propanyl)amino]methyl}-1,2,3,4-tetrahydro-1-naphthalinyl]acetamid [German] [ACD/IUPAC Name]
2-{(2S)-1-[(4-butoxyphenyl)sulfonyl]piperidin-2-yl}-N-{(1R)-6-[(tert-butylamino)methyl]-1,2,3,4-tetrahydronaphthalen-1-yl}acetamide
2-Piperidineacetamide, 1-[(4-butoxyphenyl)sulfonyl]-N-[(1R)-6-[[(1,1-dimethylethyl)amino]methyl]-1,2,3,4-tetrahydro-1-naphthalenyl]-, (2S)- [ACD/Index Name]
2-((S)-1-(4-butoxyphenylsulfonyl)piperidin-2-yl)-N-((R)-6-((tert-butylamino)methyl)-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CHEMBL426130
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL426130/

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.588
Molar Refractivity: 161.8±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 7.37
ACD/LogD (pH 5.5): 3.23
ACD/BCF (pH 5.5): 30.67
ACD/KOC (pH 5.5): 53.65
ACD/LogD (pH 7.4): 3.84
ACD/BCF (pH 7.4): 123.38
ACD/KOC (pH 7.4): 215.85
Polar Surface Area: 96 Å2
Polarizability: 64.1±0.5 10-24cm3
Surface Tension: 52.6±5.0 dyne/cm
Molar Volume: 480.7±5.0 cm3

Click to predict properties on the Chemicalize site


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