1-(4-acetylphenyl)sulfonyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide

C23H25F3N2O4S — CID 26594195

IUPAC1-(4-acetylphenyl)sulfonyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide
SMILESCC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NCCc3ccc(C(F)(F)F)cc3)CC2)cc1
InChIInChI=1S/C23H25F3N2O4S/c1-16(29)18-4-8-21(9-5-18)33(31,32)28-14-11-19(12-15-28)22(30)27-13-10-17-2-6-20(7-3-17)23(24,25)26/h2-9,19H,10-15H2,1H3,(H,27,30)
InChIKeyKRRWXTCKKWJCFT-UHFFFAOYSA-N
MW482.52 g/mol
LogP3.67
Rot. Bonds7

About 1-(4-acetylphenyl)sulfonyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide

1-(4-acetylphenyl)sulfonyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide (PubChem CID 26594195) has the molecular formula C23H25F3N2O4S and a molecular weight of 482.52 g/mol. Its IUPAC name is 1-(4-acetylphenyl)sulfonyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-acetylphenyl)sulfonyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide
PubChem CID26594195
Molecular FormulaC23H25F3N2O4S
Molecular Weight482.52 g/mol
Exact Mass482.15
IUPAC Name1-(4-acetylphenyl)sulfonyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide
SMILESCC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NCCc3ccc(C(F)(F)F)cc3)CC2)cc1
InChIInChI=1S/C23H25F3N2O4S/c1-16(29)18-4-8-21(9-5-18)33(31,32)28-14-11-19(12-15-28)22(30)27-13-10-17-2-6-20(7-3-17)23(24,25)26/h2-9,19H,10-15H2,1H3,(H,27,30)
InChIKeyKRRWXTCKKWJCFT-UHFFFAOYSA-N
XLogP3.67
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.52
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methylphenyl)sulfonyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide
CID 26594170
1-thiophen-2-ylsulfonyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide
CID 26594377
1-(4-fluorophenyl)sulfonyl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 27052613
1-(4-acetylphenyl)sulfonyl-N-(3-methylbutyl)piperidine-4-carboxamide
CID 27556617
1-(4-acetylphenyl)sulfonyl-N-(3-aminopropyl)piperidine-4-carboxamide
CID 119405399
1-(4-chlorophenyl)sulfonyl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 25402530
N-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]cyclopropanecarboxamide
CID 30125962
N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]cyclohexanecarboxamide
CID 30148136
1-acetyl-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]piperidine-4-carboxamide
CID 108736634
1-(4-acetylphenyl)sulfonyl-N-[3-(4-ethylpiperazin-1-yl)propyl]piperidine-4-carboxamide
CID 55660055
N-[3-(4-fluorophenyl)propyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 100652408
1-(4-acetylphenyl)sulfonyl-N-[(2R)-3-hydroxy-2-methylpropyl]piperidine-4-carboxamide
CID 97087231

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylphenyl)sulfonyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-(4-acetylphenyl)sulfonyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide (CID 26594195) is 1-(4-acetylphenyl)sulfonyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-acetylphenyl)sulfonyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(4-acetylphenyl)sulfonyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide is CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NCCc3ccc(C(F)(F)F)cc3)CC2)cc1.
What is the InChIKey of 1-(4-acetylphenyl)sulfonyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide?
The InChIKey is KRRWXTCKKWJCFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F3N2O4S/c1-16(29)18-4-8-21(9-5-18)33(31,32)28-14-11-19(12-15-28)22(30)27-13-10-17-2-6-20(7-3-17)23(24,25)26/h2-9,19H,10-15H2,1H3,(H,27,30).
What are the key properties of 1-(4-acetylphenyl)sulfonyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide?
1-(4-acetylphenyl)sulfonyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide has a molecular weight of 482.52 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylphenyl)sulfonyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 26594195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).