N-(2-methoxyethyl)-2-(pyridin-2-ylsulfanyl)-N-(thiophen-2-ylmethyl)propanamide

• ChemBase ID: 792450
• Molecular Formular: C16H20N2O2S2
• Molecular Mass: 336.4722
• Monoisotopic Mass: 336.09661989
• SMILES: C(=O)(N(Cc1sccc1)CCOC)C(Sc1ncccc1)C
• Canonical SMILES: COCCN(C(=O)C(Sc1ccccn1)C)Cc1cccs1
• InChI: InChI=1S/C16H20N2O2S2/c1-13(22-15-7-3-4-8-17-15)16(19)18(9-10-20-2)12-14-6-5-11-21-14/h3-8,11,13H,9-10,12H2,1-2H3
• InChIKey: UIZOELFYBUTUKU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-methoxyethyl)-2-(pyridin-2-ylsulfanyl)-N-(thiophen-2-ylmethyl)propanamide
• IUPAC Traditional name: N-(2-methoxyethyl)-2-(pyridin-2-ylsulfanyl)-N-(thiophen-2-ylmethyl)propanamide
• Synonyms: N-(2-methoxyethyl)-2-(pyridin-2-ylthio)-N-(2-thienylmethyl)propanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.9418573
• LogD (pH = 7.4): 2.9444175
• Log P: 2.9444501
• Molar Refractivity: 91.8612 cm^3
• Polarizability: 35.535526 Å^3
• Polar Surface Area: 42.43 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.8
• LOG S: -4.04
• Polar Surface Area: 42.43 Å^2
• Rotatable Bonds: 8