ChemSpider 2D Image | N-[(1-{[4-(Methylsulfonyl)phenyl]sulfonyl}-3-piperidinyl)methyl]-2-thiophenecarboxamide | C18H22N2O5S3

N-[(1-{[4-(Methylsulfonyl)phenyl]sulfonyl}-3-piperidinyl)methyl]-2-thiophenecarboxamide

  • Molecular FormulaC18H22N2O5S3
  • Average mass442.573 Da
  • Monoisotopic mass442.069092 Da
  • ChemSpider ID22412714

More details:

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

2-Thiophenecarboxamide, N-[[1-[[4-(methylsulfonyl)phenyl]sulfonyl]-3-piperidinyl]methyl]- [ACD/Index Name]
N-[(1-{[4-(Methylsulfonyl)phenyl]sulfonyl}-3-piperidinyl)methyl]-2-thiophencarboxamid [German] [ACD/IUPAC Name]
N-[(1-{[4-(Methylsulfonyl)phenyl]sulfonyl}-3-piperidinyl)methyl]-2-thiophenecarboxamide [ACD/IUPAC Name]
N-[(1-{[4-(Méthylsulfonyl)phényl]sulfonyl}-3-pipéridinyl)méthyl]-2-thiophènecarboxamide [French] [ACD/IUPAC Name]
N-{[1-(4-METHANESULFONYLBENZENESULFONYL)PIPERIDIN-3-YL]METHYL}THIOPHENE-2-CARBOXAMIDE

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.598
Molar Refractivity: 109.9±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.79
ACD/LogD (pH 5.5): 1.82
ACD/BCF (pH 5.5): 14.32
ACD/KOC (pH 5.5): 233.91
ACD/LogD (pH 7.4): 1.82
ACD/BCF (pH 7.4): 14.32
ACD/KOC (pH 7.4): 233.91
Polar Surface Area: 146 Å2
Polarizability: 43.6±0.5 10-24cm3
Surface Tension: 53.1±3.0 dyne/cm
Molar Volume: 321.8±3.0 cm3

Click to predict properties on the Chemicalize site


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