N-cyclopentyl-N-({3-[(4-fluorophenyl)methoxy]phenyl}methyl)-2-(thiophen-3-yl)acetamide

• ChemBase ID: 473371
• Molecular Formular: C25H26FNO2S
• Molecular Mass: 423.5428432
• Monoisotopic Mass: 423.1668283
• SMILES: C(=O)(N(Cc1cc(OCc2ccc(F)cc2)ccc1)C1CCCC1)Cc1cscc1
• Canonical SMILES: Fc1ccc(cc1)COc1cccc(c1)CN(C(=O)Cc1ccsc1)C1CCCC1
• InChI: InChI=1S/C25H26FNO2S/c26-22-10-8-19(9-11-22)17-29-24-7-3-4-20(14-24)16-27(23-5-1-2-6-23)25(28)15-21-12-13-30-18-21/h3-4,7-14,18,23H,1-2,5-6,15-17H2
• InChIKey: YBMZMQZRENGSQM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopentyl-N-({3-[(4-fluorophenyl)methoxy]phenyl}methyl)-2-(thiophen-3-yl)acetamide
• IUPAC Traditional name: N-cyclopentyl-N-({3-[(4-fluorophenyl)methoxy]phenyl}methyl)-2-(thiophen-3-yl)acetamide
• Synonyms: N-cyclopentyl-N-{3-[(4-fluorobenzyl)oxy]benzyl}-2-(3-thienyl)acetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 5.820524
• LogD (pH = 7.4): 5.820524
• Log P: 5.820524
• Molar Refractivity: 118.405 cm^3
• Polarizability: 45.536266 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: 5.48
• LOG S: -7.33
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 8