N'-cyclopentyl-N'-{[4-methoxy-3-(thiophen-2-ylmethoxy)phenyl]methyl}-N,N-dimethylbutanediamide

• ChemBase ID: 399544
• Molecular Formular: C24H32N2O4S
• Molecular Mass: 444.58688
• Monoisotopic Mass: 444.20827851
• SMILES: N(C(=O)CCC(=O)N(C)C)(Cc1cc(OCc2sccc2)c(cc1)OC)C1CCCC1
• Canonical SMILES: COc1ccc(cc1OCc1cccs1)CN(C(=O)CCC(=O)N(C)C)C1CCCC1
• InChI: InChI=1S/C24H32N2O4S/c1-25(2)23(27)12-13-24(28)26(19-7-4-5-8-19)16-18-10-11-21(29-3)22(15-18)30-17-20-9-6-14-31-20/h6,9-11,14-15,19H,4-5,7-8,12-13,16-17H2,1-3H3
• InChIKey: QSENSAXGLUEHAF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N'-cyclopentyl-N'-{[4-methoxy-3-(thiophen-2-ylmethoxy)phenyl]methyl}-N,N-dimethylbutanediamide
• IUPAC Traditional name: N'-cyclopentyl-N'-{[4-methoxy-3-(thiophen-2-ylmethoxy)phenyl]methyl}-N,N-dimethylsuccinamide
• Synonyms: N-cyclopentyl-N-[4-methoxy-3-(2-thienylmethoxy)benzyl]-N',N'-dimethylsuccinamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.2835228
• LogD (pH = 7.4): 3.283523
• Log P: 3.283523
• Molar Refractivity: 122.2229 cm^3
• Polarizability: 47.406193 Å^3
• Polar Surface Area: 59.08 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.62
• LOG S: -4.5
• Polar Surface Area: 59.08 Å^2
• Rotatable Bonds: 9