N-{[4-(cyclobutylmethoxy)phenyl]methyl}-N-cyclopropylthiophene-2-carboxamide

• ChemBase ID: 737155
• Molecular Formular: C20H23NO2S
• Molecular Mass: 341.46712
• Monoisotopic Mass: 341.14494998
• SMILES: C(=O)(N(C1CC1)Cc1ccc(OCC2CCC2)cc1)c1sccc1
• Canonical SMILES: O=C(N(C1CC1)Cc1ccc(cc1)OCC1CCC1)c1cccs1
• InChI: InChI=1S/C20H23NO2S/c22-20(19-5-2-12-24-19)21(17-8-9-17)13-15-6-10-18(11-7-15)23-14-16-3-1-4-16/h2,5-7,10-12,16-17H,1,3-4,8-9,13-14H2
• InChIKey: WZHSOZJDLGZRPM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[4-(cyclobutylmethoxy)phenyl]methyl}-N-cyclopropylthiophene-2-carboxamide
• IUPAC Traditional name: N-{[4-(cyclobutylmethoxy)phenyl]methyl}-N-cyclopropylthiophene-2-carboxamide
• Synonyms: N-[4-(cyclobutylmethoxy)benzyl]-N-cyclopropyl-2-thiophenecarboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.441632
• LogD (pH = 7.4): 4.441632
• Log P: 4.441632
• Molar Refractivity: 96.6497 cm^3
• Polarizability: 37.210255 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 4.37
• LOG S: -5.32
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 7