2-cyclopentyl-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-phenylacetamide

• ChemBase ID: 373254
• Molecular Formular: C20H26N2OS
• Molecular Mass: 342.49824
• Monoisotopic Mass: 342.17658446
• SMILES: C(=O)(C(c1ccccc1)C1CCCC1)N(CCc1c(ncs1)C)C
• Canonical SMILES: O=C(C(c1ccccc1)C1CCCC1)N(CCc1scnc1C)C
• InChI: InChI=1S/C20H26N2OS/c1-15-18(24-14-21-15)12-13-22(2)20(23)19(17-10-6-7-11-17)16-8-4-3-5-9-16/h3-5,8-9,14,17,19H,6-7,10-13H2,1-2H3
• InChIKey: QCQFHACBHAXFTQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-cyclopentyl-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-phenylacetamide
• IUPAC Traditional name: 2-cyclopentyl-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-phenylacetamide
• Synonyms: 2-cyclopentyl-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-phenylacetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.8867977
• LogD (pH = 7.4): 3.8871217
• Log P: 3.8871257
• Molar Refractivity: 99.1671 cm^3
• Polarizability: 38.34481 Å^3
• Polar Surface Area: 33.2 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 3.68
• LOG S: -4.84
• Polar Surface Area: 33.2 Å^2
• Rotatable Bonds: 6