N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2-(thiophen-3-yl)acetamide

• ChemBase ID: 522640
• Molecular Formular: C17H19NOS
• Molecular Mass: 285.40386
• Monoisotopic Mass: 285.11873523
• SMILES: C(=O)(N(C1c2c(CCC1)cccc2)C)Cc1cscc1
• Canonical SMILES: O=C(N(C1CCCc2c1cccc2)C)Cc1ccsc1
• InChI: InChI=1S/C17H19NOS/c1-18(17(19)11-13-9-10-20-12-13)16-8-4-6-14-5-2-3-7-15(14)16/h2-3,5,7,9-10,12,16H,4,6,8,11H2,1H3
• InChIKey: FCGPTAXTVDSJHD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2-(thiophen-3-yl)acetamide
• IUPAC Traditional name: N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2-(thiophen-3-yl)acetamide
• Synonyms: N-methyl-N-(1,2,3,4-tetrahydro-1-naphthalenyl)-2-(3-thienyl)acetamide

CALCULATED PROPERTIES

供应商提供(Chembridge)

• H Acceptors: 1
• H Donor: 0
• Log P: 3.45
• LOG S: -4.23
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 3

JChem

• H Donor: 0
• LogD (pH = 5.5): 3.7451115
• LogD (pH = 7.4): 3.7451117
• Log P: 3.7451117
• Molar Refractivity: 82.8814 cm^3
• Polarizability: 31.857946 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• H Acceptors: 1