N-methyl-N-(thiophen-3-ylmethyl)-1-benzofuran-3-carboxamide

• ChemBase ID: 686381
• Molecular Formular: C15H13NO2S
• Molecular Mass: 271.33422
• Monoisotopic Mass: 271.06669966
• SMILES: c1(C(=O)N(Cc2cscc2)C)coc2c1cccc2
• Canonical SMILES: CN(C(=O)c1coc2c1cccc2)Cc1cscc1
• InChI: InChI=1S/C15H13NO2S/c1-16(8-11-6-7-19-10-11)15(17)13-9-18-14-5-3-2-4-12(13)14/h2-7,9-10H,8H2,1H3
• InChIKey: IDOQUEHONWXDAF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-(thiophen-3-ylmethyl)-1-benzofuran-3-carboxamide
• IUPAC Traditional name: N-methyl-N-(thiophen-3-ylmethyl)-1-benzofuran-3-carboxamide
• Synonyms: N-methyl-N-(3-thienylmethyl)-1-benzofuran-3-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.9352767
• LogD (pH = 7.4): 2.9352767
• Log P: 2.9352767
• Molar Refractivity: 75.4893 cm^3
• Polarizability: 29.464844 Å^3
• Polar Surface Area: 33.45 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 2.34
• LOG S: -3.18
• Polar Surface Area: 33.45 Å^2
• Rotatable Bonds: 3