N-[2-methyl-2-(morpholin-4-yl)propyl]-2-(N-phenylmethanesulfonamido)propanamide

• ChemBase ID: 706319
• Molecular Formular: C18H29N3O4S
• Molecular Mass: 383.50556
• Monoisotopic Mass: 383.18787742
• SMILES: S(=O)(=O)(N(C(C(=O)NCC(N1CCOCC1)(C)C)C)c1ccccc1)C
• Canonical SMILES: CC(N(S(=O)(=O)C)c1ccccc1)C(=O)NCC(N1CCOCC1)(C)C
• InChI: InChI=1S/C18H29N3O4S/c1-15(21(26(4,23)24)16-8-6-5-7-9-16)17(22)19-14-18(2,3)20-10-12-25-13-11-20/h5-9,15H,10-14H2,1-4H3,(H,19,22)
• InChIKey: RJFNYIDXMQOBKU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-methyl-2-(morpholin-4-yl)propyl]-2-(N-phenylmethanesulfonamido)propanamide
• IUPAC Traditional name: N-[2-methyl-2-(morpholin-4-yl)propyl]-2-(N-phenylmethanesulfonamido)propanamide
• Synonyms: N-(2-methyl-2-morpholin-4-ylpropyl)-2-[(methylsulfonyl)(phenyl)amino]propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.141581
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -0.62758577
• LogD (pH = 7.4): 0.46286398
• Log P: 0.53083783
• Molar Refractivity: 101.0859 cm^3
• Polarizability: 40.453575 Å^3
• Polar Surface Area: 78.95 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.97
• LOG S: -3.68
• Polar Surface Area: 78.95 Å^2
• Rotatable Bonds: 6