N-(1-benzothiophen-5-ylmethyl)-2-(morpholin-2-yl)acetamide

• ChemBase ID: 859560
• Molecular Formular: C15H18N2O2S
• Molecular Mass: 290.38062
• Monoisotopic Mass: 290.10889883
• SMILES: C(=O)(CC1OCCNC1)NCc1cc2c(scc2)cc1
• Canonical SMILES: O=C(CC1CNCCO1)NCc1ccc2c(c1)ccs2
• InChI: InChI=1S/C15H18N2O2S/c18-15(8-13-10-16-4-5-19-13)17-9-11-1-2-14-12(7-11)3-6-20-14/h1-3,6-7,13,16H,4-5,8-10H2,(H,17,18)
• InChIKey: PJAQRHWJNIYTGE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1-benzothiophen-5-ylmethyl)-2-(morpholin-2-yl)acetamide
• IUPAC Traditional name: N-(1-benzothiophen-5-ylmethyl)-2-(morpholin-2-yl)acetamide
• Synonyms: N-(1-benzothien-5-ylmethyl)-2-morpholin-2-ylacetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.641282
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.386085
• LogD (pH = 7.4): 0.30274308
• Log P: 1.3806156
• Molar Refractivity: 78.8937 cm^3
• Polarizability: 32.073288 Å^3
• Polar Surface Area: 50.36 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 1.8
• LOG S: -2.85
• Polar Surface Area: 50.36 Å^2
• Rotatable Bonds: 4