N-cyclopentyl-2-(3-methyl-2-oxo-1,2-dihydroquinoxalin-1-yl)-N-(thiophen-3-ylmethyl)acetamide

• ChemBase ID: 520148
• Molecular Formular: C21H23N3O2S
• Molecular Mass: 381.49122
• Monoisotopic Mass: 381.15109799
• SMILES: n1(c(=O)c(nc2c1cccc2)C)CC(=O)N(Cc1cscc1)C1CCCC1
• Canonical SMILES: O=C(N(C1CCCC1)Cc1cscc1)Cn1c(=O)c(C)nc2c1cccc2
• InChI: InChI=1S/C21H23N3O2S/c1-15-21(26)24(19-9-5-4-8-18(19)22-15)13-20(25)23(17-6-2-3-7-17)12-16-10-11-27-14-16/h4-5,8-11,14,17H,2-3,6-7,12-13H2,1H3
• InChIKey: BSUURIUYAVEIHK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopentyl-2-(3-methyl-2-oxo-1,2-dihydroquinoxalin-1-yl)-N-(thiophen-3-ylmethyl)acetamide
• IUPAC Traditional name: N-cyclopentyl-2-(3-methyl-2-oxoquinoxalin-1-yl)-N-(thiophen-3-ylmethyl)acetamide
• Synonyms: N-cyclopentyl-2-(3-methyl-2-oxoquinoxalin-1(2H)-yl)-N-(3-thienylmethyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.186934
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.0710151
• LogD (pH = 7.4): 3.0710309
• Log P: 3.071031
• Molar Refractivity: 107.9023 cm^3
• Polarizability: 40.487217 Å^3
• Polar Surface Area: 52.98 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.7
• LOG S: -4.29
• Polar Surface Area: 55.2 Å^2
• Rotatable Bonds: 5