N-cyclopentyl-2-(2-methyl-1,3-thiazol-4-yl)-N-({3-[2-(thiophen-2-yl)ethoxy]phenyl}methyl)acetamide

• ChemBase ID: 558932
• Molecular Formular: C24H28N2O2S2
• Molecular Mass: 440.62132
• Monoisotopic Mass: 440.15922015
• SMILES: C(=O)(N(Cc1cc(OCCc2sccc2)ccc1)C1CCCC1)Cc1nc(sc1)C
• Canonical SMILES: O=C(N(C1CCCC1)Cc1cccc(c1)OCCc1cccs1)Cc1csc(n1)C
• InChI: InChI=1S/C24H28N2O2S2/c1-18-25-20(17-30-18)15-24(27)26(21-7-2-3-8-21)16-19-6-4-9-22(14-19)28-12-11-23-10-5-13-29-23/h4-6,9-10,13-14,17,21H,2-3,7-8,11-12,15-16H2,1H3
• InChIKey: GISNZPBAYQEUFC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopentyl-2-(2-methyl-1,3-thiazol-4-yl)-N-({3-[2-(thiophen-2-yl)ethoxy]phenyl}methyl)acetamide
• IUPAC Traditional name: N-cyclopentyl-2-(2-methyl-1,3-thiazol-4-yl)-N-({3-[2-(thiophen-2-yl)ethoxy]phenyl}methyl)acetamide
• Synonyms: N-cyclopentyl-2-(2-methyl-1,3-thiazol-4-yl)-N-{3-[2-(2-thienyl)ethoxy]benzyl}acetamide

CALCULATED PROPERTIES

JChem

• Polarizability: 47.19091 Å^3
• Polar Surface Area: 42.43 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: false
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 5.2652736
• LogD (pH = 7.4): 5.266614
• Log P: 5.2666306
• Molar Refractivity: 122.1152 cm^3

供应商提供(Chembridge)

• Polar Surface Area: 42.43 Å^2
• Rotatable Bonds: 9
• H Acceptors: 3
• H Donor: 0
• Log P: 4.51
• LOG S: -7.29