N-(2-methoxyethyl)-2-[methyl(pyridin-3-ylmethyl)amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide

• ChemBase ID: 684079
• Molecular Formular: C18H25N3O2S
• Molecular Mass: 347.475
• Monoisotopic Mass: 347.16674806
• SMILES: c1(c(ccs1)C)CN(C(=O)CN(Cc1cnccc1)C)CCOC
• Canonical SMILES: COCCN(C(=O)CN(Cc1cccnc1)C)Cc1sccc1C
• InChI: InChI=1S/C18H25N3O2S/c1-15-6-10-24-17(15)13-21(8-9-23-3)18(22)14-20(2)12-16-5-4-7-19-11-16/h4-7,10-11H,8-9,12-14H2,1-3H3
• InChIKey: RKTMTNMSUCDLTP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-methoxyethyl)-2-[methyl(pyridin-3-ylmethyl)amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide
• IUPAC Traditional name: N-(2-methoxyethyl)-2-[methyl(pyridin-3-ylmethyl)amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide
• Synonyms: N-(2-methoxyethyl)-2-[methyl(pyridin-3-ylmethyl)amino]-N-[(3-methyl-2-thienyl)methyl]acetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.6621839
• LogD (pH = 7.4): 1.8342566
• Log P: 1.9191633
• Molar Refractivity: 97.7312 cm^3
• Polarizability: 37.58987 Å^3
• Polar Surface Area: 45.67 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.28
• LOG S: -2.38
• Polar Surface Area: 45.67 Å^2
• Rotatable Bonds: 9