ChemSpider 2D Image | N-{3-Methyl-1-oxo-1-[(4-phenyl-2-butanyl)amino]-2-butanyl}-1-[(4-methylphenyl)sulfonyl]-4-piperidinecarboxamide | C28H39N3O4S

N-{3-Methyl-1-oxo-1-[(4-phenyl-2-butanyl)amino]-2-butanyl}-1-[(4-methylphenyl)sulfonyl]-4-piperidinecarboxamide

  • Molecular FormulaC28H39N3O4S
  • Average mass513.692 Da
  • Monoisotopic mass513.266113 Da
  • ChemSpider ID3780507

More details:

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

4-Piperidinecarboxamide, N-[2-methyl-1-[[(1-methyl-3-phenylpropyl)amino]carbonyl]propyl]-1-[(4-methylphenyl)sulfonyl]- [ACD/Index Name]
N-{3-Methyl-1-oxo-1-[(4-phenyl-2-butanyl)amino]-2-butanyl}-1-[(4-methylphenyl)sulfonyl]-4-piperidincarboxamid [German] [ACD/IUPAC Name]
N-{3-Methyl-1-oxo-1-[(4-phenyl-2-butanyl)amino]-2-butanyl}-1-[(4-methylphenyl)sulfonyl]-4-piperidinecarboxamide [ACD/IUPAC Name]
N-{3-Méthyl-1-oxo-1-[(4-phényl-2-butanyl)amino]-2-butanyl}-1-[(4-méthylphényl)sulfonyl]-4-pipéridinecarboxamide [French] [ACD/IUPAC Name]
3-METHYL-2-{[1-(4-METHYLBENZENESULFONYL)PIPERIDIN-4-YL]FORMAMIDO}-N-(4-PHENYLBUTAN-2-YL)BUTANAMIDE
N-{3-methyl-1-oxo-1-[(4-phenylbutan-2-yl)amino]butan-2-yl}-1-[(4-methylphenyl)sulfonyl]piperidine-4-carboxamide

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: 1.565
Molar Refractivity: 143.7±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 4.90
ACD/LogD (pH 5.5): 4.35
ACD/BCF (pH 5.5): 1188.44
ACD/KOC (pH 5.5): 5529.26
ACD/LogD (pH 7.4): 4.35
ACD/BCF (pH 7.4): 1188.44
ACD/KOC (pH 7.4): 5529.26
Polar Surface Area: 104 Å2
Polarizability: 56.9±0.5 10-24cm3
Surface Tension: 46.6±3.0 dyne/cm
Molar Volume: 440.9±3.0 cm3

Click to predict properties on the Chemicalize site


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