2-[4-(2-methanesulfonamidoacetyl)morpholin-3-yl]-N-phenylacetamide

• ChemBase ID: 693435
• Molecular Formular: C15H21N3O5S
• Molecular Mass: 355.40934
• Monoisotopic Mass: 355.12019179
• SMILES: S(=O)(=O)(NCC(=O)N1C(CC(=O)Nc2ccccc2)COCC1)C
• Canonical SMILES: O=C(Nc1ccccc1)CC1COCCN1C(=O)CNS(=O)(=O)C
• InChI: InChI=1S/C15H21N3O5S/c1-24(21,22)16-10-15(20)18-7-8-23-11-13(18)9-14(19)17-12-5-3-2-4-6-12/h2-6,13,16H,7-11H2,1H3,(H,17,19)
• InChIKey: ATETWLXHVYJZHZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[4-(2-methanesulfonamidoacetyl)morpholin-3-yl]-N-phenylacetamide
• IUPAC Traditional name: 2-[4-(2-methanesulfonamidoacetyl)morpholin-3-yl]-N-phenylacetamide
• Synonyms: 2-{4-[N-(methylsulfonyl)glycyl]-3-morpholinyl}-N-phenylacetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.954083
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -1.2026296
• LogD (pH = 7.4): -1.2036886
• Log P: -1.2026161
• Molar Refractivity: 88.4698 cm^3
• Polarizability: 34.69665 Å^3
• Polar Surface Area: 104.81 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: -0.29
• LOG S: -2.85
• Polar Surface Area: 104.81 Å^2
• Rotatable Bonds: 5