4-[3-(4-ethylpiperazine-1-carbonyl)phenoxy]-N,N-dimethylpiperidine-1-sulfonamide

• ChemBase ID: 562728
• Molecular Formular: C20H32N4O4S
• Molecular Mass: 424.55748
• Monoisotopic Mass: 424.21442652
• SMILES: S(=O)(=O)(N1CCC(Oc2cc(C(=O)N3CCN(CC3)CC)ccc2)CC1)N(C)C
• Canonical SMILES: CCN1CCN(CC1)C(=O)c1cccc(c1)OC1CCN(CC1)S(=O)(=O)N(C)C
• InChI: InChI=1S/C20H32N4O4S/c1-4-22-12-14-23(15-13-22)20(25)17-6-5-7-19(16-17)28-18-8-10-24(11-9-18)29(26,27)21(2)3/h5-7,16,18H,4,8-15H2,1-3H3
• InChIKey: NZJYEQRHRYOMSB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[3-(4-ethylpiperazine-1-carbonyl)phenoxy]-N,N-dimethylpiperidine-1-sulfonamide
• IUPAC Traditional name: 4-[3-(4-ethylpiperazine-1-carbonyl)phenoxy]-N,N-dimethylpiperidine-1-sulfonamide
• Synonyms: 4-{3-[(4-ethyl-1-piperazinyl)carbonyl]phenoxy}-N,N-dimethyl-1-piperidinesulfonamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): -1.5504367
• LogD (pH = 7.4): -0.11974048
• Log P: 0.057531517
• Molar Refractivity: 114.0831 cm^3
• Polarizability: 44.711613 Å^3
• Polar Surface Area: 73.4 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 0
• Log P: 1.05
• LOG S: -2.98
• Polar Surface Area: 73.4 Å^2
• Rotatable Bonds: 3