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

C27H28F3N3O3S — CID 76647527

IUPACN-(2,2-diphenylethyl)-5-[[3-(trifluoromethyl)phenyl]sulfonylamino]piperidine-3-carboxamide
SMILESO=C(NCC(c1ccccc1)c1ccccc1)C1CNCC(NS(=O)(=O)c2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C27H28F3N3O3S/c28-27(29,30)22-12-7-13-24(15-22)37(35,36)33-23-14-21(16-31-17-23)26(34)32-18-25(19-8-3-1-4-9-19)20-10-5-2-6-11-20/h1-13,15,21,23,25,31,33H,14,16-18H2,(H,32,34)
InChIKeyINUCYDDGEPVOEJ-UHFFFAOYSA-N
MW531.60 g/mol
LogP3.91
Rot. Bonds8

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

N-(2,2-diphenylethyl)-5-[[3-(trifluoromethyl)phenyl]sulfonylamino]piperidine-3-carboxamide (PubChem CID 76647527) has the molecular formula C27H28F3N3O3S and a molecular weight of 531.60 g/mol. Its IUPAC name is N-(2,2-diphenylethyl)-5-[[3-(trifluoromethyl)phenyl]sulfonylamino]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,2-diphenylethyl)-5-[[3-(trifluoromethyl)phenyl]sulfonylamino]piperidine-3-carboxamide
PubChem CID76647527
Molecular FormulaC27H28F3N3O3S
Molecular Weight531.60 g/mol
Exact Mass531.18
IUPAC NameN-(2,2-diphenylethyl)-5-[[3-(trifluoromethyl)phenyl]sulfonylamino]piperidine-3-carboxamide
SMILESO=C(NCC(c1ccccc1)c1ccccc1)C1CNCC(NS(=O)(=O)c2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C27H28F3N3O3S/c28-27(29,30)22-12-7-13-24(15-22)37(35,36)33-23-14-21(16-31-17-23)26(34)32-18-25(19-8-3-1-4-9-19)20-10-5-2-6-11-20/h1-13,15,21,23,25,31,33H,14,16-18H2,(H,32,34)
InChIKeyINUCYDDGEPVOEJ-UHFFFAOYSA-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

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Related Compounds

(3s,5r)-N-(2,2-Diphenylethyl)-5-{[(4-Methylphenyl)sulfonyl]amino}piperidine-3-Carboxamide
CID 11993712
(4R,5R)-5-amino-1-(3-(methylsulfonyl)phenethyl)-4-(2,4,5-trifluorophenyl)piperidin-2-one
CID 16203037
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-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 4883298
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
N-[2-(cyclohexen-1-yl)ethyl]-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 25162779
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
(2S)-N-[(1S)-1-cyano-2-phenylethyl]-4-methyl-2-[(3-phenylphenyl)sulfonylamino]pentanamide
CID 162669096
1-((4-fluorophenyl)sulfonyl)-N-(4-phenylbutan-2-yl)piperidine-4-carboxamide
CID 17529295

Frequently Asked Questions

What is the IUPAC name of N-(2,2-diphenylethyl)-5-[[3-(trifluoromethyl)phenyl]sulfonylamino]piperidine-3-carboxamide?
The IUPAC name of N-(2,2-diphenylethyl)-5-[[3-(trifluoromethyl)phenyl]sulfonylamino]piperidine-3-carboxamide (CID 76647527) is N-(2,2-diphenylethyl)-5-[[3-(trifluoromethyl)phenyl]sulfonylamino]piperidine-3-carboxamide.
What is the SMILES notation for N-(2,2-diphenylethyl)-5-[[3-(trifluoromethyl)phenyl]sulfonylamino]piperidine-3-carboxamide?
The canonical SMILES for N-(2,2-diphenylethyl)-5-[[3-(trifluoromethyl)phenyl]sulfonylamino]piperidine-3-carboxamide is O=C(NCC(c1ccccc1)c1ccccc1)C1CNCC(NS(=O)(=O)c2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of N-(2,2-diphenylethyl)-5-[[3-(trifluoromethyl)phenyl]sulfonylamino]piperidine-3-carboxamide?
The InChIKey is INUCYDDGEPVOEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28F3N3O3S/c28-27(29,30)22-12-7-13-24(15-22)37(35,36)33-23-14-21(16-31-17-23)26(34)32-18-25(19-8-3-1-4-9-19)20-10-5-2-6-11-20/h1-13,15,21,23,25,31,33H,14,16-18H2,(H,32,34).
What are the key properties of N-(2,2-diphenylethyl)-5-[[3-(trifluoromethyl)phenyl]sulfonylamino]piperidine-3-carboxamide?
N-(2,2-diphenylethyl)-5-[[3-(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 N-(2,2-diphenylethyl)-5-[[3-(trifluoromethyl)phenyl]sulfonylamino]piperidine-3-carboxamide is sourced from PubChem (CID 76647527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).