N-(1-carbamoylcyclopentyl)-4-[(3-hydroxypiperidin-1-yl)sulfonyl]benzamide

• ChemBase ID: 816849
• Molecular Formular: C18H25N3O5S
• Molecular Mass: 395.4732
• Monoisotopic Mass: 395.15149192
• SMILES: S(=O)(=O)(N1CC(O)CCC1)c1ccc(C(=O)NC2(C(=O)N)CCCC2)cc1
• Canonical SMILES: OC1CCCN(C1)S(=O)(=O)c1ccc(cc1)C(=O)NC1(CCCC1)C(=O)N
• InChI: InChI=1S/C18H25N3O5S/c19-17(24)18(9-1-2-10-18)20-16(23)13-5-7-15(8-6-13)27(25,26)21-11-3-4-14(22)12-21/h5-8,14,22H,1-4,9-12H2,(H2,19,24)(H,20,23)
• InChIKey: MZQXDBYBYPJNFT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1-carbamoylcyclopentyl)-4-[(3-hydroxypiperidin-1-yl)sulfonyl]benzamide
• IUPAC Traditional name: N-(1-carbamoylcyclopentyl)-4-(3-hydroxypiperidin-1-ylsulfonyl)benzamide
• Synonyms: N-[1-(aminocarbonyl)cyclopentyl]-4-[(3-hydroxy-1-piperidinyl)sulfonyl]benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.993861
• H Acceptors: 5
• H Donor: 3
• LogD (pH = 5.5): 0.13029724
• LogD (pH = 7.4): 0.13029724
• Log P: 0.13029732
• Molar Refractivity: 99.8477 cm^3
• Polarizability: 39.16502 Å^3
• Polar Surface Area: 129.8 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 3
• Log P: -0.33
• LOG S: -3.11
• Polar Surface Area: 129.8 Å^2
• Rotatable Bonds: 4