ChemSpider 2D Image | N-{(2S)-1-[(3-Chlorobenzyl)amino]-1-oxo-2-propanyl}-1-[(4-methoxyphenyl)sulfonyl]-3-piperidinecarboxamide | C23H28ClN3O5S

N-{(2S)-1-[(3-Chlorobenzyl)amino]-1-oxo-2-propanyl}-1-[(4-methoxyphenyl)sulfonyl]-3-piperidinecarboxamide

  • Molecular FormulaC23H28ClN3O5S
  • Average mass494.004 Da
  • Monoisotopic mass493.143829 Da
  • ChemSpider ID22882468

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

3-Piperidinecarboxamide, N-[(1S)-2-[[(3-chlorophenyl)methyl]amino]-1-methyl-2-oxoethyl]-1-[(4-methoxyphenyl)sulfonyl]- [ACD/Index Name]
N-{(2S)-1-[(3-Chlorbenzyl)amino]-1-oxo-2-propanyl}-1-[(4-methoxyphenyl)sulfonyl]-3-piperidincarboxamid [German] [ACD/IUPAC Name]
N-{(2S)-1-[(3-Chlorobenzyl)amino]-1-oxo-2-propanyl}-1-[(4-methoxyphenyl)sulfonyl]-3-piperidinecarboxamide [ACD/IUPAC Name]
N-{(2S)-1-[(3-Chlorobenzyl)amino]-1-oxo-2-propanyl}-1-[(4-méthoxyphényl)sulfonyl]-3-pipéridinecarboxamide [French] [ACD/IUPAC Name]
1014106-17-2 [RN]
N-[(2S)-1-[(3-chlorophenyl)methylamino]-1-oxopropan-2-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide

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

    Density: 1.3±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.589
    Molar Refractivity: 127.1±0.4 cm3
    #H bond acceptors: 8
    #H bond donors: 2
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 0
    ACD/LogP: 3.39
    ACD/LogD (pH 5.5): 2.86
    ACD/BCF (pH 5.5): 87.62
    ACD/KOC (pH 5.5): 855.29
    ACD/LogD (pH 7.4): 2.86
    ACD/BCF (pH 7.4): 87.62
    ACD/KOC (pH 7.4): 855.29
    Polar Surface Area: 113 Å2
    Polarizability: 50.4±0.5 10-24cm3
    Surface Tension: 52.0±3.0 dyne/cm
    Molar Volume: 377.3±3.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement