ChemSpider 2D Image | N-{(2S)-1-[(3-Isopropoxypropyl)amino]-3-methyl-1-oxo-2-butanyl}-1-[(4-methylphenyl)sulfonyl]-4-piperidinecarboxamide | C24H39N3O5S

N-{(2S)-1-[(3-Isopropoxypropyl)amino]-3-methyl-1-oxo-2-butanyl}-1-[(4-methylphenyl)sulfonyl]-4-piperidinecarboxamide

  • Molecular FormulaC24H39N3O5S
  • Average mass481.649 Da
  • Monoisotopic mass481.261047 Da
  • ChemSpider ID22868868

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

4-Piperidinecarboxamide, N-[(1S)-2-methyl-1-[[[3-(1-methylethoxy)propyl]amino]carbonyl]propyl]-1-[(4-methylphenyl)sulfonyl]- [ACD/Index Name]
N-{(2S)-1-[(3-Isopropoxypropyl)amino]-3-methyl-1-oxo-2-butanyl}-1-[(4-methylphenyl)sulfonyl]-4-piperidincarboxamid [German] [ACD/IUPAC Name]
N-{(2S)-1-[(3-Isopropoxypropyl)amino]-3-methyl-1-oxo-2-butanyl}-1-[(4-methylphenyl)sulfonyl]-4-piperidinecarboxamide [ACD/IUPAC Name]
N-{(2S)-1-[(3-Isopropoxypropyl)amino]-3-méthyl-1-oxo-2-butanyl}-1-[(4-méthylphényl)sulfonyl]-4-pipéridinecarboxamide [French] [ACD/IUPAC Name]
1013793-33-3 [RN]
N-[(2S)-3-methyl-1-oxo-1-(3-propan-2-yloxypropylamino)butan-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide

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

    Density: 1.1±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.532
    Molar Refractivity: 129.9±0.4 cm3
    #H bond acceptors: 8
    #H bond donors: 2
    #Freely Rotating Bonds: 11
    #Rule of 5 Violations: 0
    ACD/LogP: 3.14
    ACD/LogD (pH 5.5): 3.01
    ACD/BCF (pH 5.5): 113.33
    ACD/KOC (pH 5.5): 1028.30
    ACD/LogD (pH 7.4): 3.01
    ACD/BCF (pH 7.4): 113.33
    ACD/KOC (pH 7.4): 1028.30
    Polar Surface Area: 113 Å2
    Polarizability: 51.5±0.5 10-24cm3
    Surface Tension: 43.7±3.0 dyne/cm
    Molar Volume: 419.6±3.0 cm3

    Click to predict properties on the Chemicalize site


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