N'-cyclopentyl-N-[1-(thiophen-2-yl)butyl]butanediamide

• ChemBase ID: 529003
• Molecular Formular: C17H26N2O2S
• Molecular Mass: 322.46554
• Monoisotopic Mass: 322.17149908
• SMILES: c1(sccc1)C(NC(=O)CCC(=O)NC1CCCC1)CCC
• Canonical SMILES: CCCC(c1cccs1)NC(=O)CCC(=O)NC1CCCC1
• InChI: InChI=1S/C17H26N2O2S/c1-2-6-14(15-9-5-12-22-15)19-17(21)11-10-16(20)18-13-7-3-4-8-13/h5,9,12-14H,2-4,6-8,10-11H2,1H3,(H,18,20)(H,19,21)
• InChIKey: XPTRSQONVMALBC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N'-cyclopentyl-N-[1-(thiophen-2-yl)butyl]butanediamide
• IUPAC Traditional name: N'-cyclopentyl-N-[1-(thiophen-2-yl)butyl]succinamide
• Synonyms: N-cyclopentyl-N'-[1-(2-thienyl)butyl]succinamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.319959
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.8107064
• LogD (pH = 7.4): 2.8107064
• Log P: 2.8107064
• Molar Refractivity: 88.4343 cm^3
• Polarizability: 34.61628 Å^3
• Polar Surface Area: 58.2 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 2
• Log P: 2.95
• LOG S: -4.07
• Polar Surface Area: 58.2 Å^2
• Rotatable Bonds: 8