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Search term: YIYARPRQBQBDKN-GREBRCKQSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | trans-N-[(2S)-1-Anilino-1-oxo-3-(2-thienyl)-2-propanyl]-4-ethoxy-1-(sulfanylmethyl)cyclohexanecarboxamide | C23H30N2O3S2

trans-N-[(2S)-1-Anilino-1-oxo-3-(2-thienyl)-2-propanyl]-4-ethoxy-1-(sulfanylmethyl)cyclohexanecarboxamide

  • Molecular FormulaC23H30N2O3S2
  • Average mass446.626 Da
  • Monoisotopic mass446.169769 Da
  • ChemSpider ID23153824

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

2-Thiophenepropanamide, α-[[[trans-4-ethoxy-1-(mercaptomethyl)cyclohexyl]carbonyl]amino]-N-phenyl-, (αS)- [ACD/Index Name]
trans-4-ethoxy-N-[(2S)-1-oxo-1-(phenylamino)-3-(thiophen-2-yl)propan-2-yl]-1-(sulfanylmethyl)cyclohexanecarboxamide
trans-N-[(2S)-1-Anilino-1-oxo-3-(2-thienyl)-2-propanyl]-4-ethoxy-1-(sulfanylmethyl)cyclohexancarboxamid [German] [ACD/IUPAC Name]
trans-N-[(2S)-1-Anilino-1-oxo-3-(2-thienyl)-2-propanyl]-4-ethoxy-1-(sulfanylmethyl)cyclohexanecarboxamide [ACD/IUPAC Name]
trans-N-[(2S)-1-Anilino-1-oxo-3-(2-thiényl)-2-propanyl]-4-éthoxy-1-(sulfanylméthyl)cyclohexanecarboxamide [French] [ACD/IUPAC Name]
4-Ethoxy-1-mercaptomethyl-cyclohexanecarboxylic acid ((S)-1-phenylcarbamoyl-2-thiophen-2-yl-ethyl)-amide
CHEMBL60183

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

Density: 1.2±0.1 g/cm3
Boiling Point: 705.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.2±3.0 kJ/mol
Flash Point: 380.5±32.9 °C
Index of Refraction: 1.601
Molar Refractivity: 124.9±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.80
ACD/LogD (pH 5.5): 4.25
ACD/BCF (pH 5.5): 993.82
ACD/KOC (pH 5.5): 4864.85
ACD/LogD (pH 7.4): 4.25
ACD/BCF (pH 7.4): 992.40
ACD/KOC (pH 7.4): 4857.90
Polar Surface Area: 134 Å2
Polarizability: 49.5±0.5 10-24cm3
Surface Tension: 53.7±5.0 dyne/cm
Molar Volume: 364.3±5.0 cm3

Click to predict properties on the Chemicalize site


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