N-{[3-methoxy-4-(oxolan-3-yloxy)phenyl]methyl}-5-methyl-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide

• ChemBase ID: 649275
• Molecular Formular: C24H26N2O4S
• Molecular Mass: 438.53924
• Monoisotopic Mass: 438.16132832
• SMILES: c1(C(=O)N(Cc2cnccc2)Cc2cc(c(OC3CCOC3)cc2)OC)sc(cc1)C
• Canonical SMILES: COc1cc(ccc1OC1CCOC1)CN(C(=O)c1ccc(s1)C)Cc1cccnc1
• InChI: InChI=1S/C24H26N2O4S/c1-17-5-8-23(31-17)24(27)26(15-19-4-3-10-25-13-19)14-18-6-7-21(22(12-18)28-2)30-20-9-11-29-16-20/h3-8,10,12-13,20H,9,11,14-16H2,1-2H3
• InChIKey: LUZYQPSPOQLUFB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[3-methoxy-4-(oxolan-3-yloxy)phenyl]methyl}-5-methyl-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide
• IUPAC Traditional name: N-{[3-methoxy-4-(oxolan-3-yloxy)phenyl]methyl}-5-methyl-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide
• Synonyms: N-[3-methoxy-4-(tetrahydro-3-furanyloxy)benzyl]-5-methyl-N-(3-pyridinylmethyl)-2-thiophenecarboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 3.574887
• LogD (pH = 7.4): 3.6461287
• Log P: 3.647138
• Molar Refractivity: 120.4808 cm^3
• Polarizability: 46.096478 Å^3
• Polar Surface Area: 60.89 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.12
• LOG S: -4.11
• Polar Surface Area: 60.89 Å^2
• Rotatable Bonds: 7