ChemSpider 2D Image | N-{2-[(4-sec-Butylphenyl){1-(3-methoxyphenyl)-2-[(2-methyl-2-butanyl)amino]-2-oxoethyl}amino]-2-oxoethyl}-2-thiophenecarboxamide | C31H39N3O4S

N-{2-[(4-sec-Butylphenyl){1-(3-methoxyphenyl)-2-[(2-methyl-2-butanyl)amino]-2-oxoethyl}amino]-2-oxoethyl}-2-thiophenecarboxamide

  • Molecular FormulaC31H39N3O4S
  • Average mass549.724 Da
  • Monoisotopic mass549.266113 Da
  • ChemSpider ID2466827

More details:

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

2-Thiophenecarboxamide, N-[2-[[2-[(1,1-dimethylpropyl)amino]-1-(3-methoxyphenyl)-2-oxoethyl][4-(1-methylpropyl)phenyl]amino]-2-oxoethyl]- [ACD/Index Name]
N-{2-[(4-sec-Butylphenyl){1-(3-methoxyphenyl)-2-[(2-methyl-2-butanyl)amino]-2-oxoethyl}amino]-2-oxoethyl}-2-thiophencarboxamid [German] [ACD/IUPAC Name]
N-{2-[(4-sec-Butylphenyl){1-(3-methoxyphenyl)-2-[(2-methyl-2-butanyl)amino]-2-oxoethyl}amino]-2-oxoethyl}-2-thiophenecarboxamide [ACD/IUPAC Name]
N-{2-[(4-sec-Butylphényl){1-(3-méthoxyphényl)-2-[(2-méthyl-2-butanyl)amino]-2-oxoéthyl}amino]-2-oxoéthyl}-2-thiophènecarboxamide [French] [ACD/IUPAC Name]
2-(3-METHOXYPHENYL)-N-(2-METHYLBUTAN-2-YL)-2-{N-[4-(SEC-BUTYL)PHENYL]-2-(THIOPHEN-2-YLFORMAMIDO)ACETAMIDO}ACETAMIDE
2-{N-[4-(BUTAN-2-YL)PHENYL]-2-[(THIOPHEN-2-YL)FORMAMIDO]ACETAMIDO}-2-(3-METHOXYPHENYL)-N-(2-METHYLBUTAN-2-YL)ACETAMIDE

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

ASN 05990194 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 769.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 112.0±3.0 kJ/mol
Flash Point: 419.1±32.9 °C
Index of Refraction: 1.584
Molar Refractivity: 158.2±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 5.72
ACD/LogD (pH 5.5): 4.70
ACD/BCF (pH 5.5): 2200.55
ACD/KOC (pH 5.5): 8593.68
ACD/LogD (pH 7.4): 4.70
ACD/BCF (pH 7.4): 2200.52
ACD/KOC (pH 7.4): 8593.56
Polar Surface Area: 116 Å2
Polarizability: 62.7±0.5 10-24cm3
Surface Tension: 46.7±3.0 dyne/cm
Molar Volume: 472.3±3.0 cm3

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