N-(2-chlorophenyl)-4-[2-(thiophen-2-yl)acetyl]morpholine-2-carboxamide

• ChemBase ID: 753657
• Molecular Formular: C17H17ClN2O3S
• Molecular Mass: 364.84648
• Monoisotopic Mass: 364.06484109
• SMILES: N1(C(=O)Cc2sccc2)CC(C(=O)Nc2c(Cl)cccc2)OCC1
• Canonical SMILES: O=C(C1OCCN(C1)C(=O)Cc1cccs1)Nc1ccccc1Cl
• InChI: InChI=1S/C17H17ClN2O3S/c18-13-5-1-2-6-14(13)19-17(22)15-11-20(7-8-23-15)16(21)10-12-4-3-9-24-12/h1-6,9,15H,7-8,10-11H2,(H,19,22)
• InChIKey: BUONPNZRYODQNP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-chlorophenyl)-4-[2-(thiophen-2-yl)acetyl]morpholine-2-carboxamide
• IUPAC Traditional name: N-(2-chlorophenyl)-4-[2-(thiophen-2-yl)acetyl]morpholine-2-carboxamide
• Synonyms: N-(2-chlorophenyl)-4-(2-thienylacetyl)-2-morpholinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.711512
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.6740704
• LogD (pH = 7.4): 2.6740506
• Log P: 2.6740706
• Molar Refractivity: 93.8576 cm^3
• Polarizability: 35.786068 Å^3
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.34
• LOG S: -3.86
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 4