1-(4-acetylphenyl)sulfonyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]piperidine-4-carboxamide

C22H24F3N3O5S — CID 39501591

IUPAC1-(4-acetylphenyl)sulfonyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]piperidine-4-carboxamide
SMILESCC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccnc(OCC(F)(F)F)c3)CC2)cc1
InChIInChI=1S/C22H24F3N3O5S/c1-15(29)17-2-4-19(5-3-17)34(31,32)28-10-7-18(8-11-28)21(30)27-13-16-6-9-26-20(12-16)33-14-22(23,24)25/h2-6,9,12,18H,7-8,10-11,13-14H2,1H3,(H,27,30)
InChIKeySGBUAULJJZKMSV-UHFFFAOYSA-N
MW499.51 g/mol
LogP2.94
Rot. Bonds8

About 1-(4-acetylphenyl)sulfonyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]piperidine-4-carboxamide

1-(4-acetylphenyl)sulfonyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]piperidine-4-carboxamide (PubChem CID 39501591) has the molecular formula C22H24F3N3O5S and a molecular weight of 499.51 g/mol. Its IUPAC name is 1-(4-acetylphenyl)sulfonyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-acetylphenyl)sulfonyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]piperidine-4-carboxamide
PubChem CID39501591
Molecular FormulaC22H24F3N3O5S
Molecular Weight499.51 g/mol
Exact Mass499.14
IUPAC Name1-(4-acetylphenyl)sulfonyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]piperidine-4-carboxamide
SMILESCC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccnc(OCC(F)(F)F)c3)CC2)cc1
InChIInChI=1S/C22H24F3N3O5S/c1-15(29)17-2-4-19(5-3-17)34(31,32)28-10-7-18(8-11-28)21(30)27-13-16-6-9-26-20(12-16)33-14-22(23,24)25/h2-6,9,12,18H,7-8,10-11,13-14H2,1H3,(H,27,30)
InChIKeySGBUAULJJZKMSV-UHFFFAOYSA-N
XLogP2.94
TPSA105.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.51
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(4-acetylphenyl)sulfonyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]piperidine-4-carboxamide with MolForge

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Related Compounds

N-[(2-ethoxy-4-pyridinyl)methyl]-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 55707554
3,3-dimethyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]cyclobutane-1-carboxamide
CID 178036152
1-(2,4-difluorobenzoyl)-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]piperidine-4-carboxamide
CID 39501753
1-(4-acetylphenyl)sulfonyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide
CID 26594195
1-(4-acetylphenyl)sulfonyl-N-[[2-(trifluoromethoxy)phenyl]methyl]piperidine-4-carboxamide
CID 24556536
N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]spiro[2.3]hexane-5-carboxamide
CID 178036109
1-(4-methylphenyl)sulfonyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 26241503
1-(4-acetylphenyl)sulfonyl-N-(3-aminopropyl)piperidine-4-carboxamide
CID 119405399
2-hydroxy-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]cyclopentane-1-carboxamide
CID 110014086
1-(4-acetylphenyl)sulfonyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-4-carboxamide
CID 27890193
1-(2-cyanophenyl)sulfonyl-N-[(2-methoxy-4-pyridinyl)methyl]piperidine-4-carboxamide
CID 38092473
1-(4-ethylphenyl)sulfonyl-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide
CID 113004556

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylphenyl)sulfonyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(4-acetylphenyl)sulfonyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]piperidine-4-carboxamide (CID 39501591) is 1-(4-acetylphenyl)sulfonyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-acetylphenyl)sulfonyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(4-acetylphenyl)sulfonyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]piperidine-4-carboxamide is CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccnc(OCC(F)(F)F)c3)CC2)cc1.
What is the InChIKey of 1-(4-acetylphenyl)sulfonyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]piperidine-4-carboxamide?
The InChIKey is SGBUAULJJZKMSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3N3O5S/c1-15(29)17-2-4-19(5-3-17)34(31,32)28-10-7-18(8-11-28)21(30)27-13-16-6-9-26-20(12-16)33-14-22(23,24)25/h2-6,9,12,18H,7-8,10-11,13-14H2,1H3,(H,27,30).
What are the key properties of 1-(4-acetylphenyl)sulfonyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]piperidine-4-carboxamide?
1-(4-acetylphenyl)sulfonyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]piperidine-4-carboxamide has a molecular weight of 499.51 g/mol, XLogP of 2.94, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylphenyl)sulfonyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 39501591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).