N-cyclopropyl-N-({4-[2-(4-fluorophenyl)ethoxy]phenyl}methyl)-3-methylthiophene-2-carboxamide

• ChemBase ID: 816645
• Molecular Formular: C24H24FNO2S
• Molecular Mass: 409.5162632
• Monoisotopic Mass: 409.15117823
• SMILES: C(=O)(c1c(ccs1)C)N(C1CC1)Cc1ccc(cc1)OCCc1ccc(F)cc1
• Canonical SMILES: Fc1ccc(cc1)CCOc1ccc(cc1)CN(C(=O)c1sccc1C)C1CC1
• InChI: InChI=1S/C24H24FNO2S/c1-17-13-15-29-23(17)24(27)26(21-8-9-21)16-19-4-10-22(11-5-19)28-14-12-18-2-6-20(25)7-3-18/h2-7,10-11,13,15,21H,8-9,12,14,16H2,1H3
• InChIKey: OYXWXSJFEFPIHV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-N-({4-[2-(4-fluorophenyl)ethoxy]phenyl}methyl)-3-methylthiophene-2-carboxamide
• IUPAC Traditional name: N-cyclopropyl-N-({4-[2-(4-fluorophenyl)ethoxy]phenyl}methyl)-3-methylthiophene-2-carboxamide
• Synonyms: N-cyclopropyl-N-{4-[2-(4-fluorophenyl)ethoxy]benzyl}-3-methyl-2-thiophenecarboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 5.8857436
• LogD (pH = 7.4): 5.8857436
• Log P: 5.8857436
• Molar Refractivity: 114.7319 cm^3
• Polarizability: 43.346188 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: false

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 5.58
• LOG S: -6.81
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 8