N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide

• ChemBase ID: 534693
• Molecular Formular: C17H17NO3S
• Molecular Mass: 315.38678
• Monoisotopic Mass: 315.09291441
• SMILES: c1(C(=O)N(Cc2sccc2)CCOC)oc2c(c1)cccc2
• Canonical SMILES: COCCN(C(=O)c1cc2c(o1)cccc2)Cc1cccs1
• InChI: InChI=1S/C17H17NO3S/c1-20-9-8-18(12-14-6-4-10-22-14)17(19)16-11-13-5-2-3-7-15(13)21-16/h2-7,10-11H,8-9,12H2,1H3
• InChIKey: DAUBMFWJVIJBOF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide
• IUPAC Traditional name: N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide
• Synonyms: N-(2-methoxyethyl)-N-(2-thienylmethyl)-1-benzofuran-2-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.9407418
• LogD (pH = 7.4): 2.9407418
• Log P: 2.9407418
• Molar Refractivity: 86.1944 cm^3
• Polarizability: 33.846874 Å^3
• Polar Surface Area: 42.68 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.16
• LOG S: -4.2
• Polar Surface Area: 42.68 Å^2
• Rotatable Bonds: 6