ChemSpider 2D Image | N-[(5-{[2-(1-Ethyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)methyl]-N-(4-methylphenyl)methanesulfonamide | C22H29N5O3S2

N-[(5-{[2-(1-Ethyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)methyl]-N-(4-methylphenyl)methanesulfonamide

  • Molecular FormulaC22H29N5O3S2
  • Average mass475.627 Da
  • Monoisotopic mass475.171173 Da
  • ChemSpider ID22955429

More details:

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

Methanesulfonamide, N-[[5-[[2-(1-ethyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]thio]-4-methyl-4H-1,2,4-triazol-3-yl]methyl]-N-(4-methylphenyl)- [ACD/Index Name]
N-[(5-{[2-(1-Ethyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)methyl]-N-(4-methylphenyl)methanesulfonamide [ACD/IUPAC Name]
N-[(5-{[2-(1-Éthyl-2,5-diméthyl-1H-pyrrol-3-yl)-2-oxoéthyl]sulfanyl}-4-méthyl-4H-1,2,4-triazol-3-yl)méthyl]-N-(4-méthylphényl)méthanesulfonamide [French] [ACD/IUPAC Name]
N-[(5-{[2-(1-Ethyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)methyl]-N-(4-methylphenyl)methansulfonamid [German] [ACD/IUPAC Name]
N-{5-[2-(1-Ethyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-oxo-ethylsulfanyl]-4-methyl-4H-[1,2,4]triazol-3-ylmethyl}-N-p-tolyl-methanesulfonamide

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

Density: 1.3±0.1 g/cm3
Boiling Point: 700.6±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.6±3.0 kJ/mol
Flash Point: 377.5±35.7 °C
Index of Refraction: 1.630
Molar Refractivity: 131.6±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 4.00
ACD/LogD (pH 5.5): 3.33
ACD/BCF (pH 5.5): 198.40
ACD/KOC (pH 5.5): 1535.28
ACD/LogD (pH 7.4): 3.33
ACD/BCF (pH 7.4): 198.41
ACD/KOC (pH 7.4): 1535.32
Polar Surface Area: 124 Å2
Polarizability: 52.2±0.5 10-24cm3
Surface Tension: 47.9±7.0 dyne/cm
Molar Volume: 369.6±7.0 cm3

Click to predict properties on the Chemicalize site


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