N-(1-benzothiophen-2-ylmethyl)-2-methoxy-N,2-dimethylpropanamide

• ChemBase ID: 858582
• Molecular Formular: C15H19NO2S
• Molecular Mass: 277.38186
• Monoisotopic Mass: 277.11364985
• SMILES: c1(sc2c(c1)cccc2)CN(C(=O)C(OC)(C)C)C
• Canonical SMILES: COC(C(=O)N(Cc1cc2c(s1)cccc2)C)(C)C
• InChI: InChI=1S/C15H19NO2S/c1-15(2,18-4)14(17)16(3)10-12-9-11-7-5-6-8-13(11)19-12/h5-9H,10H2,1-4H3
• InChIKey: LZDHVRFRGSFCOC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1-benzothiophen-2-ylmethyl)-2-methoxy-N,2-dimethylpropanamide
• IUPAC Traditional name: N-(1-benzothiophen-2-ylmethyl)-2-methoxy-N,2-dimethylpropanamide
• Synonyms: N-(1-benzothien-2-ylmethyl)-2-methoxy-N,2-dimethylpropanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.9774098
• LogD (pH = 7.4): 2.9774098
• Log P: 2.9774098
• Molar Refractivity: 77.6567 cm^3
• Polarizability: 31.282537 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 3.74
• LOG S: -4.42
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 4