2-(4-ethoxyphenyl)-N-(thiophen-3-ylmethyl)acetamide

• ChemBase ID: 453926
• Molecular Formular: C15H17NO2S
• Molecular Mass: 275.36598
• Monoisotopic Mass: 275.09799979
• SMILES: c1(cscc1)CNC(=O)Cc1ccc(cc1)OCC
• Canonical SMILES: CCOc1ccc(cc1)CC(=O)NCc1cscc1
• InChI: InChI=1S/C15H17NO2S/c1-2-18-14-5-3-12(4-6-14)9-15(17)16-10-13-7-8-19-11-13/h3-8,11H,2,9-10H2,1H3,(H,16,17)
• InChIKey: BUMUBYMKRWBRSO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-ethoxyphenyl)-N-(thiophen-3-ylmethyl)acetamide
• IUPAC Traditional name: 2-(4-ethoxyphenyl)-N-(thiophen-3-ylmethyl)acetamide
• Synonyms: 2-(4-ethoxyphenyl)-N-(3-thienylmethyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.301782
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.7317793
• LogD (pH = 7.4): 2.7317793
• Log P: 2.7317793
• Molar Refractivity: 77.0147 cm^3
• Polarizability: 29.65805 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 2.81
• LOG S: -3.8
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 4