ChemSpider 2D Image | N-{(2S)-1-[(3,4-Dimethoxyphenyl)amino]-3-methyl-1-oxo-2-butanyl}-1-[(4-methylphenyl)sulfonyl]-4-piperidinecarboxamide | C26H35N3O6S

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

  • Molecular FormulaC26H35N3O6S
  • Average mass517.638 Da
  • Monoisotopic mass517.224670 Da
  • ChemSpider ID22868709

  • 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-[[(3,4-dimethoxyphenyl)amino]carbonyl]-2-methylpropyl]-1-[(4-methylphenyl)sulfonyl]- [ACD/Index Name]
N-{(2S)-1-[(3,4-Dimethoxyphenyl)amino]-3-methyl-1-oxo-2-butanyl}-1-[(4-methylphenyl)sulfonyl]-4-piperidincarboxamid [German] [ACD/IUPAC Name]
N-{(2S)-1-[(3,4-Dimethoxyphenyl)amino]-3-methyl-1-oxo-2-butanyl}-1-[(4-methylphenyl)sulfonyl]-4-piperidinecarboxamide [ACD/IUPAC Name]
N-{(2S)-1-[(3,4-Diméthoxyphényl)amino]-3-méthyl-1-oxo-2-butanyl}-1-[(4-méthylphényl)sulfonyl]-4-pipéridinecarboxamide [French] [ACD/IUPAC Name]
1013792-79-4 [RN]
N-[(2S)-1-(3,4-dimethoxyanilino)-3-methyl-1-oxobutan-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
N-{(2S)-1-[(3,4-dimethoxyphenyl)amino]-3-methyl-1-oxobutan-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: 1.576
    Molar Refractivity: 137.9±0.4 cm3
    #H bond acceptors: 9
    #H bond donors: 2
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 1
    ACD/LogP: 3.52
    ACD/LogD (pH 5.5): 3.32
    ACD/BCF (pH 5.5): 197.96
    ACD/KOC (pH 5.5): 1532.84
    ACD/LogD (pH 7.4): 3.32
    ACD/BCF (pH 7.4): 197.96
    ACD/KOC (pH 7.4): 1532.86
    Polar Surface Area: 122 Å2
    Polarizability: 54.7±0.5 10-24cm3
    Surface Tension: 50.4±3.0 dyne/cm
    Molar Volume: 416.9±3.0 cm3

    Click to predict properties on the Chemicalize site


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