(3S,5R)-N-(2,2-diphenylethyl)-5-[[2-(trifluoromethyl)phenyl]sulfonylamino]piperidine-3-carboxamide

C27H28F3N3O3S — CID 15984144

IUPAC(3S,5R)-N-(2,2-diphenylethyl)-5-[[2-(trifluoromethyl)phenyl]sulfonylamino]piperidine-3-carboxamide
SMILESO=C(NCC(c1ccccc1)c1ccccc1)[C@@H]1CNC[C@H](NS(=O)(=O)c2ccccc2C(F)(F)F)C1
InChIInChI=1S/C27H28F3N3O3S/c28-27(29,30)24-13-7-8-14-25(24)37(35,36)33-22-15-21(16-31-17-22)26(34)32-18-23(19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-14,21-23,31,33H,15-18H2,(H,32,34)/t21-,22+/m0/s1
InChIKeySWIVBRFOWGNMQU-FCHUYYIVSA-N
MW531.60 g/mol
LogP3.91
Rot. Bonds8

About (3S,5R)-N-(2,2-diphenylethyl)-5-[[2-(trifluoromethyl)phenyl]sulfonylamino]piperidine-3-carboxamide

(3S,5R)-N-(2,2-diphenylethyl)-5-[[2-(trifluoromethyl)phenyl]sulfonylamino]piperidine-3-carboxamide (PubChem CID 15984144) has the molecular formula C27H28F3N3O3S and a molecular weight of 531.60 g/mol. Its IUPAC name is (3S,5R)-N-(2,2-diphenylethyl)-5-[[2-(trifluoromethyl)phenyl]sulfonylamino]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S,5R)-N-(2,2-diphenylethyl)-5-[[2-(trifluoromethyl)phenyl]sulfonylamino]piperidine-3-carboxamide
PubChem CID15984144
Molecular FormulaC27H28F3N3O3S
Molecular Weight531.60 g/mol
Exact Mass531.18
IUPAC Name(3S,5R)-N-(2,2-diphenylethyl)-5-[[2-(trifluoromethyl)phenyl]sulfonylamino]piperidine-3-carboxamide
SMILESO=C(NCC(c1ccccc1)c1ccccc1)[C@@H]1CNC[C@H](NS(=O)(=O)c2ccccc2C(F)(F)F)C1
InChIInChI=1S/C27H28F3N3O3S/c28-27(29,30)24-13-7-8-14-25(24)37(35,36)33-22-15-21(16-31-17-22)26(34)32-18-23(19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-14,21-23,31,33H,15-18H2,(H,32,34)/t21-,22+/m0/s1
InChIKeySWIVBRFOWGNMQU-FCHUYYIVSA-N
XLogP3.91
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500531.60
LogP ≤ 53.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (3S,5R)-N-(2,2-diphenylethyl)-5-[[2-(trifluoromethyl)phenyl]sulfonylamino]piperidine-3-carboxamide with MolForge

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Related Compounds

(3s,5r)-N-(2,2-Diphenylethyl)-5-{[(4-Methylphenyl)sulfonyl]amino}piperidine-3-Carboxamide
CID 11993712
N-[1-(3-Fluoro-benzenesulfonyl)-piperidin-4-yl]-2-phenyl-acetamide
CID 646527
N-[2-(dimethylamino)-2-phenylethyl]-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 4877700
N-(3-{[2-(3-fluorophenyl)ethyl]amino}-3-oxopropyl)-1-(phenylsulfonyl)piperidine-4-carboxamide
CID 17585309
N-(3-{[2-(3-fluorophenyl)ethyl]amino}-3-oxopropyl)-1-[(4-fluorophenyl)sulfonyl]piperidine-4-carboxamide
CID 17585452
3-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-N-[(4-sulfamoylphenyl)methyl]propanamide
CID 162644358
(2S)-N-[(1S)-1-cyano-2-phenylethyl]-2-[[3-(4-fluorophenyl)phenyl]sulfonylamino]-4-methylpentanamide
CID 162650822
1-((4-fluorophenyl)sulfonyl)-N-(4-phenylbutan-2-yl)piperidine-4-carboxamide
CID 17529295
N-[2-(3-fluorophenyl)ethyl]-1-[(4-fluorophenyl)sulfonyl]piperidine-4-carboxamide
CID 17585865
1-(Toluene-4-sulfonyl)-piperidine-3-carboxylic acid phenethyl-amide
CID 3151840
N-(3-phenylpropyl)-3-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide
CID 4780386
N-(4-phenylbutan-2-yl)-3-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide
CID 25162734

Frequently Asked Questions

What is the IUPAC name of (3S,5R)-N-(2,2-diphenylethyl)-5-[[2-(trifluoromethyl)phenyl]sulfonylamino]piperidine-3-carboxamide?
The IUPAC name of (3S,5R)-N-(2,2-diphenylethyl)-5-[[2-(trifluoromethyl)phenyl]sulfonylamino]piperidine-3-carboxamide (CID 15984144) is (3S,5R)-N-(2,2-diphenylethyl)-5-[[2-(trifluoromethyl)phenyl]sulfonylamino]piperidine-3-carboxamide.
What is the SMILES notation for (3S,5R)-N-(2,2-diphenylethyl)-5-[[2-(trifluoromethyl)phenyl]sulfonylamino]piperidine-3-carboxamide?
The canonical SMILES for (3S,5R)-N-(2,2-diphenylethyl)-5-[[2-(trifluoromethyl)phenyl]sulfonylamino]piperidine-3-carboxamide is O=C(NCC(c1ccccc1)c1ccccc1)[C@@H]1CNC[C@H](NS(=O)(=O)c2ccccc2C(F)(F)F)C1.
What is the InChIKey of (3S,5R)-N-(2,2-diphenylethyl)-5-[[2-(trifluoromethyl)phenyl]sulfonylamino]piperidine-3-carboxamide?
The InChIKey is SWIVBRFOWGNMQU-FCHUYYIVSA-N. The full InChI is InChI=1S/C27H28F3N3O3S/c28-27(29,30)24-13-7-8-14-25(24)37(35,36)33-22-15-21(16-31-17-22)26(34)32-18-23(19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-14,21-23,31,33H,15-18H2,(H,32,34)/t21-,22+/m0/s1.
What are the key properties of (3S,5R)-N-(2,2-diphenylethyl)-5-[[2-(trifluoromethyl)phenyl]sulfonylamino]piperidine-3-carboxamide?
(3S,5R)-N-(2,2-diphenylethyl)-5-[[2-(trifluoromethyl)phenyl]sulfonylamino]piperidine-3-carboxamide has a molecular weight of 531.60 g/mol, XLogP of 3.91, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-N-(2,2-diphenylethyl)-5-[[2-(trifluoromethyl)phenyl]sulfonylamino]piperidine-3-carboxamide is sourced from PubChem (CID 15984144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).