1-[2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]acetyl]piperidine-4-carboxamide

C21H22F3N3O4S — CID 1076413

IUPAC1-[2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]acetyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C21H22F3N3O4S/c22-21(23,24)16-5-4-6-17(13-16)27(32(30,31)18-7-2-1-3-8-18)14-19(28)26-11-9-15(10-12-26)20(25)29/h1-8,13,15H,9-12,14H2,(H2,25,29)
InChIKeyRAJBEOYYGRLCGB-UHFFFAOYSA-N
MW469.49 g/mol
LogP2.62
Rot. Bonds6

About 1-[2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]acetyl]piperidine-4-carboxamide

1-[2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]acetyl]piperidine-4-carboxamide (PubChem CID 1076413) has the molecular formula C21H22F3N3O4S and a molecular weight of 469.49 g/mol. Its IUPAC name is 1-[2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]acetyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]acetyl]piperidine-4-carboxamide
PubChem CID1076413
Molecular FormulaC21H22F3N3O4S
Molecular Weight469.49 g/mol
Exact Mass469.13
IUPAC Name1-[2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]acetyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C21H22F3N3O4S/c22-21(23,24)16-5-4-6-17(13-16)27(32(30,31)18-7-2-1-3-8-18)14-19(28)26-11-9-15(10-12-26)20(25)29/h1-8,13,15H,9-12,14H2,(H2,25,29)
InChIKeyRAJBEOYYGRLCGB-UHFFFAOYSA-N
XLogP2.62
TPSA100.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.49
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]acetyl]piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-(4-Acetylamino-benzenesulfonylamino)-2-oxo-6-phenyl-2H-pyridin-1-yl]-N-(3,3,3-trifluoro-1-isopropyl-2-oxo-propyl)-acetamide
CID 9830006
N-(2,4-difluorophenyl)-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-4-oxobutanamide
CID 2112121
1-N-phenyl-4-N-[2-(4-sulfamoylphenyl)ethyl]piperidine-1,4-dicarboxamide
CID 4843067
2-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 4852464
2-{4-[(4-fluorophenyl)sulfonyl]piperazin-1-yl}-N-[3-(trifluoromethyl)phenyl]acetamide
CID 3244408
N-(2,4-difluorophenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 4824613
1-(2,5-Dimethylphenyl)-4-({1-[(4-fluorophenyl)sulfonyl]piperidin-2-yl}carbonyl)piperazine
CID 9550339
[4-(2-Fluorophenyl)piperazin-1-yl]{1-[(4-methylphenyl)sulfonyl]piperidin-2-yl}methanone
CID 9551439
1-[4-(2-ketopyrrolidino)phenyl]sulfonyl-N-[4-(trifluoromethyl)phenyl]isonipecotamide
CID 17585068
N-benzyl-1-((4-(2-oxopyrrolidin-1-yl)phenyl)sulfonyl)piperidine-4-carboxamide
CID 17585685
2-[3-(3-Acetylamino-benzenesulfonylamino)-2-oxo-6-phenyl-2H-pyridin-1-yl]-N-(3,3,3-trifluoro-1-isopropyl-2-oxo-propyl)-acetamide
CID 10416037
N-(3-oxo-3-{[3-(trifluoromethyl)phenyl]amino}propyl)-1-(phenylsulfonyl)piperidine-4-carboxamide
CID 17584548

Frequently Asked Questions

What is the IUPAC name of 1-[2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]acetyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]acetyl]piperidine-4-carboxamide (CID 1076413) is 1-[2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]acetyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]acetyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]acetyl]piperidine-4-carboxamide is NC(=O)C1CCN(C(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of 1-[2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]acetyl]piperidine-4-carboxamide?
The InChIKey is RAJBEOYYGRLCGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F3N3O4S/c22-21(23,24)16-5-4-6-17(13-16)27(32(30,31)18-7-2-1-3-8-18)14-19(28)26-11-9-15(10-12-26)20(25)29/h1-8,13,15H,9-12,14H2,(H2,25,29).
What are the key properties of 1-[2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]acetyl]piperidine-4-carboxamide?
1-[2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]acetyl]piperidine-4-carboxamide has a molecular weight of 469.49 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]acetyl]piperidine-4-carboxamide is sourced from PubChem (CID 1076413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).