N'-cyclopentyl-N-[2-methoxy-2-(thiophen-2-yl)ethyl]butanediamide

• ChemBase ID: 626687
• Molecular Formular: C16H24N2O3S
• Molecular Mass: 324.43836
• Monoisotopic Mass: 324.15076364
• SMILES: c1(sccc1)C(CNC(=O)CCC(=O)NC1CCCC1)OC
• Canonical SMILES: COC(c1cccs1)CNC(=O)CCC(=O)NC1CCCC1
• InChI: InChI=1S/C16H24N2O3S/c1-21-13(14-7-4-10-22-14)11-17-15(19)8-9-16(20)18-12-5-2-3-6-12/h4,7,10,12-13H,2-3,5-6,8-9,11H2,1H3,(H,17,19)(H,18,20)
• InChIKey: QWQNWYBPRKOFMY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N'-cyclopentyl-N-[2-methoxy-2-(thiophen-2-yl)ethyl]butanediamide
• IUPAC Traditional name: N'-cyclopentyl-N-[2-methoxy-2-(thiophen-2-yl)ethyl]succinamide
• Synonyms: N-cyclopentyl-N'-[2-methoxy-2-(2-thienyl)ethyl]succinamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.185511
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.4398317
• LogD (pH = 7.4): 1.4398319
• Log P: 1.4398319
• Molar Refractivity: 85.6042 cm^3
• Polarizability: 33.49756 Å^3
• Polar Surface Area: 67.43 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 1.72
• LOG S: -3.04
• Polar Surface Area: 67.43 Å^2
• Rotatable Bonds: 8