2-(5-acetylthiophen-3-yl)-N-(thiophen-2-ylmethyl)acetamide

• ChemBase ID: 672835
• Molecular Formular: C13H13NO2S2
• Molecular Mass: 279.37782
• Monoisotopic Mass: 279.03877066
• SMILES: c1(scc(c1)CC(=O)NCc1sccc1)C(=O)C
• Canonical SMILES: O=C(Cc1csc(c1)C(=O)C)NCc1cccs1
• InChI: InChI=1S/C13H13NO2S2/c1-9(15)12-5-10(8-18-12)6-13(16)14-7-11-3-2-4-17-11/h2-5,8H,6-7H2,1H3,(H,14,16)
• InChIKey: OJUQSGNIFLZRSJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(5-acetylthiophen-3-yl)-N-(thiophen-2-ylmethyl)acetamide
• IUPAC Traditional name: 2-(5-acetylthiophen-3-yl)-N-(thiophen-2-ylmethyl)acetamide
• Synonyms: 2-(5-acetyl-3-thienyl)-N-(2-thienylmethyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.536182
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.1356108
• LogD (pH = 7.4): 2.1356108
• Log P: 2.135611
• Molar Refractivity: 72.8797 cm^3
• Polarizability: 27.751724 Å^3
• Polar Surface Area: 46.17 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 1.58
• LOG S: -3.62
• Polar Surface Area: 46.17 Å^2
• Rotatable Bonds: 5