(3S)-N-cyclohexyl-1-[4-[(4-fluorophenyl)sulfonylamino]benzoyl]piperidine-3-carboxamide

C25H30FN3O4S — CID 92729184

IUPAC(3S)-N-cyclohexyl-1-[4-[(4-fluorophenyl)sulfonylamino]benzoyl]piperidine-3-carboxamide
SMILESO=C(NC1CCCCC1)[C@H]1CCCN(C(=O)c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)C1
InChIInChI=1S/C25H30FN3O4S/c26-20-10-14-23(15-11-20)34(32,33)28-22-12-8-18(9-13-22)25(31)29-16-4-5-19(17-29)24(30)27-21-6-2-1-3-7-21/h8-15,19,21,28H,1-7,16-17H2,(H,27,30)/t19-/m0/s1
InChIKeyGZCKRZJLZDTXJL-IBGZPJMESA-N
MW487.60 g/mol
LogP3.93
Rot. Bonds6

About (3S)-N-cyclohexyl-1-[4-[(4-fluorophenyl)sulfonylamino]benzoyl]piperidine-3-carboxamide

(3S)-N-cyclohexyl-1-[4-[(4-fluorophenyl)sulfonylamino]benzoyl]piperidine-3-carboxamide (PubChem CID 92729184) has the molecular formula C25H30FN3O4S and a molecular weight of 487.60 g/mol. Its IUPAC name is (3S)-N-cyclohexyl-1-[4-[(4-fluorophenyl)sulfonylamino]benzoyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-cyclohexyl-1-[4-[(4-fluorophenyl)sulfonylamino]benzoyl]piperidine-3-carboxamide
PubChem CID92729184
Molecular FormulaC25H30FN3O4S
Molecular Weight487.60 g/mol
Exact Mass487.19
IUPAC Name(3S)-N-cyclohexyl-1-[4-[(4-fluorophenyl)sulfonylamino]benzoyl]piperidine-3-carboxamide
SMILESO=C(NC1CCCCC1)[C@H]1CCCN(C(=O)c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)C1
InChIInChI=1S/C25H30FN3O4S/c26-20-10-14-23(15-11-20)34(32,33)28-22-12-8-18(9-13-22)25(31)29-16-4-5-19(17-29)24(30)27-21-6-2-1-3-7-21/h8-15,19,21,28H,1-7,16-17H2,(H,27,30)/t19-/m0/s1
InChIKeyGZCKRZJLZDTXJL-IBGZPJMESA-N
XLogP3.93
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.60
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cycloheptyl-1-[4-[(4-methylphenyl)sulfonylamino]benzoyl]piperidine-3-carboxamide
CID 46384573
(3R)-N-cyclopentyl-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 25392682
1-[3-(benzenesulfonamido)benzoyl]-N-cycloheptylpiperidine-3-carboxamide
CID 46387322
N-cyclopropyl-1-[4-[(4-fluorophenyl)sulfonylamino]benzoyl]pyrrolidine-2-carboxamide
CID 50830865
(3R)-1-[4-[(4-bromophenyl)sulfonylamino]benzoyl]-N-methylpiperidine-3-carboxamide
CID 92729209
(3S)-N-cycloheptyl-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 9268767
4-fluoro-N-[4-(4-hydroxypiperidine-1-carbonyl)phenyl]benzenesulfonamide
CID 78802442
N-(4-fluorophenyl)-4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)benzenesulfonamide
CID 56544473
4-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]-N-(4-fluorophenyl)benzenesulfonamide
CID 25497663
4-fluoro-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]benzenesulfonamide
CID 17492250
N-[4-(4-aminopiperidine-1-carbonyl)phenyl]-4-fluorobenzenesulfonamide
CID 119374441
(3R)-N-cycloheptyl-1-[4-(2,2-dimethylpropanoylamino)benzoyl]piperidine-3-carboxamide
CID 92728911

Frequently Asked Questions

What is the IUPAC name of (3S)-N-cyclohexyl-1-[4-[(4-fluorophenyl)sulfonylamino]benzoyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-N-cyclohexyl-1-[4-[(4-fluorophenyl)sulfonylamino]benzoyl]piperidine-3-carboxamide (CID 92729184) is (3S)-N-cyclohexyl-1-[4-[(4-fluorophenyl)sulfonylamino]benzoyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-cyclohexyl-1-[4-[(4-fluorophenyl)sulfonylamino]benzoyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-cyclohexyl-1-[4-[(4-fluorophenyl)sulfonylamino]benzoyl]piperidine-3-carboxamide is O=C(NC1CCCCC1)[C@H]1CCCN(C(=O)c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)C1.
What is the InChIKey of (3S)-N-cyclohexyl-1-[4-[(4-fluorophenyl)sulfonylamino]benzoyl]piperidine-3-carboxamide?
The InChIKey is GZCKRZJLZDTXJL-IBGZPJMESA-N. The full InChI is InChI=1S/C25H30FN3O4S/c26-20-10-14-23(15-11-20)34(32,33)28-22-12-8-18(9-13-22)25(31)29-16-4-5-19(17-29)24(30)27-21-6-2-1-3-7-21/h8-15,19,21,28H,1-7,16-17H2,(H,27,30)/t19-/m0/s1.
What are the key properties of (3S)-N-cyclohexyl-1-[4-[(4-fluorophenyl)sulfonylamino]benzoyl]piperidine-3-carboxamide?
(3S)-N-cyclohexyl-1-[4-[(4-fluorophenyl)sulfonylamino]benzoyl]piperidine-3-carboxamide has a molecular weight of 487.60 g/mol, XLogP of 3.93, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-cyclohexyl-1-[4-[(4-fluorophenyl)sulfonylamino]benzoyl]piperidine-3-carboxamide is sourced from PubChem (CID 92729184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).