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

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

  • Molecular FormulaC28H39N3O4S
  • Average mass513.692 Da
  • Monoisotopic mass513.266113 Da
  • ChemSpider ID22868961

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

4-Piperidinecarboxamide, N-[(1S)-1-[[(4-butylphenyl)amino]carbonyl]-2-methylpropyl]-1-[(4-methylphenyl)sulfonyl]- [ACD/Index Name]
N-{(2S)-1-[(4-Butylphenyl)amino]-3-methyl-1-oxo-2-butanyl}-1-[(4-methylphenyl)sulfonyl]-4-piperidincarboxamid [German] [ACD/IUPAC Name]
N-{(2S)-1-[(4-Butylphenyl)amino]-3-methyl-1-oxo-2-butanyl}-1-[(4-methylphenyl)sulfonyl]-4-piperidinecarboxamide [ACD/IUPAC Name]
N-{(2S)-1-[(4-Butylphényl)amino]-3-méthyl-1-oxo-2-butanyl}-1-[(4-méthylphényl)sulfonyl]-4-pipéridinecarboxamide [French] [ACD/IUPAC Name]
1014083-66-9 [RN]
N-[(2S)-1-(4-butylanilino)-3-methyl-1-oxobutan-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide

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

    Density: 1.2±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.575
    Molar Refractivity: 143.7±0.4 cm3
    #H bond acceptors: 7
    #H bond donors: 2
    #Freely Rotating Bonds: 10
    #Rule of 5 Violations: 2
    ACD/LogP: 5.48
    ACD/LogD (pH 5.5): 5.01
    ACD/BCF (pH 5.5): 3782.72
    ACD/KOC (pH 5.5): 12664.39
    ACD/LogD (pH 7.4): 5.01
    ACD/BCF (pH 7.4): 3782.77
    ACD/KOC (pH 7.4): 12664.56
    Polar Surface Area: 104 Å2
    Polarizability: 57.0±0.5 10-24cm3
    Surface Tension: 49.4±3.0 dyne/cm
    Molar Volume: 434.7±3.0 cm3

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