N-cyclobutyl-3-{[3-(morpholin-4-yl)azetidin-1-yl]sulfonyl}benzamide

• ChemBase ID: 836886
• Molecular Formular: C18H25N3O4S
• Molecular Mass: 379.4738
• Monoisotopic Mass: 379.1565773
• SMILES: S(=O)(=O)(N1CC(C1)N1CCOCC1)c1cc(C(=O)NC2CCC2)ccc1
• Canonical SMILES: O=C(c1cccc(c1)S(=O)(=O)N1CC(C1)N1CCOCC1)NC1CCC1
• InChI: InChI=1S/C18H25N3O4S/c22-18(19-15-4-2-5-15)14-3-1-6-17(11-14)26(23,24)21-12-16(13-21)20-7-9-25-10-8-20/h1,3,6,11,15-16H,2,4-5,7-10,12-13H2,(H,19,22)
• InChIKey: OFEKRICUNXPSGE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclobutyl-3-{[3-(morpholin-4-yl)azetidin-1-yl]sulfonyl}benzamide
• IUPAC Traditional name: N-cyclobutyl-3-[3-(morpholin-4-yl)azetidin-1-ylsulfonyl]benzamide
• Synonyms: N-cyclobutyl-3-[(3-morpholin-4-ylazetidin-1-yl)sulfonyl]benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.113053
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.6603234
• LogD (pH = 7.4): 0.69894904
• Log P: 0.6994645
• Molar Refractivity: 98.5914 cm^3
• Polarizability: 38.773003 Å^3
• Polar Surface Area: 78.95 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 0.75
• LOG S: -2.61
• Polar Surface Area: 78.95 Å^2
• Rotatable Bonds: 4