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

• ChemBase ID: 327905
• Molecular Formular: C14H15NO2S
• Molecular Mass: 261.3394
• Monoisotopic Mass: 261.08234973
• SMILES: c1(cscc1)CNC(=O)Cc1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)CC(=O)NCc1cscc1
• InChI: InChI=1S/C14H15NO2S/c1-17-13-4-2-11(3-5-13)8-14(16)15-9-12-6-7-18-10-12/h2-7,10H,8-9H2,1H3,(H,15,16)
• InChIKey: SNSOHZVTGBIFRT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

供应商提供(Chembridge)

• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 4
• H Acceptors: 2
• H Donor: 1
• Log P: 2.28
• LOG S: -3.17

JChem

• Rotatable Bonds: 5
• Lipinski's Rule of Five: true
• Acid pKa: 15.232494
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.3749714
• LogD (pH = 7.4): 2.3749714
• Log P: 2.3749714
• Molar Refractivity: 72.2661 cm^3
• Polarizability: 27.81868 Å^3
• Polar Surface Area: 38.33 Å^2