ChemSpider 2D Image | N-(4-Chlorophenyl)-2-{[(2-ethyl-1-piperidinyl)acetyl]amino}-6-(2-methyl-2-propanyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide | C28H38ClN3O2S

N-(4-Chlorophenyl)-2-{[(2-ethyl-1-piperidinyl)acetyl]amino}-6-(2-methyl-2-propanyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

  • Molecular FormulaC28H38ClN3O2S
  • Average mass516.138 Da
  • Monoisotopic mass515.237305 Da
  • ChemSpider ID2767243

More details:

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

1-Piperidineacetamide, N-[3-[[(4-chlorophenyl)amino]carbonyl]-6-(1,1-dimethylethyl)-4,5,6,7-tetrahydrobenzo[b]thien-2-yl]-2-ethyl- [ACD/Index Name]
N-(4-Chlorophenyl)-2-{[(2-ethyl-1-piperidinyl)acetyl]amino}-6-(2-methyl-2-propanyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide [ACD/IUPAC Name]
N-(4-Chlorophényl)-2-{[2-(2-éthyl-1-pipéridinyl)acétyl]amino}-6-(2-méthyl-2-propanyl)-4,5,6,7-tétrahydro-1-benzothiophène-3-carboxamide [French] [ACD/IUPAC Name]
N-(4-Chlorphenyl)-2-{[(2-ethyl-1-piperidinyl)acetyl]amino}-6-(2-methyl-2-propanyl)-4,5,6,7-tetrahydro-1-benzothiophen-3-carboxamid [German] [ACD/IUPAC Name]
6-tert-Butyl-2-[2-(2-ethyl-piperidin-1-yl)-acetylamino]-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid (4-chloro-phenyl)-amide
6-tert-butyl-N-(4-chlorophenyl)-2-[2-(2-ethylpiperidin-1-yl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
6-tert-butyl-N-(4-chlorophenyl)-2-{[(2-ethylpiperidin-1-yl)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-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: 624.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.5±3.0 kJ/mol
Flash Point: 331.7±31.5 °C
Index of Refraction: 1.606
Molar Refractivity: 147.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 9.32
ACD/LogD (pH 5.5): 5.65
ACD/BCF (pH 5.5): 3859.25
ACD/KOC (pH 5.5): 3506.46
ACD/LogD (pH 7.4): 7.27
ACD/BCF (pH 7.4): 161889.61
ACD/KOC (pH 7.4): 147090.27
Polar Surface Area: 90 Å2
Polarizability: 58.4±0.5 10-24cm3
Surface Tension: 51.1±3.0 dyne/cm
Molar Volume: 427.0±3.0 cm3

Click to predict properties on the Chemicalize site


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