N-(2,4-dimethylphenyl)-N-ethyl-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide

C23H27F3N2O3S — CID 55592026

IUPACN-(2,4-dimethylphenyl)-N-ethyl-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
SMILESCCN(C(=O)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1)c1ccc(C)cc1C
InChIInChI=1S/C23H27F3N2O3S/c1-4-28(20-10-9-16(2)15-17(20)3)22(29)18-11-13-27(14-12-18)32(30,31)21-8-6-5-7-19(21)23(24,25)26/h5-10,15,18H,4,11-14H2,1-3H3
InChIKeyOFUDSDDUVGOGPZ-UHFFFAOYSA-N
MW468.54 g/mol
LogP4.78
Rot. Bonds5

About N-(2,4-dimethylphenyl)-N-ethyl-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide

N-(2,4-dimethylphenyl)-N-ethyl-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide (PubChem CID 55592026) has the molecular formula C23H27F3N2O3S and a molecular weight of 468.54 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-N-ethyl-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-N-ethyl-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
PubChem CID55592026
Molecular FormulaC23H27F3N2O3S
Molecular Weight468.54 g/mol
Exact Mass468.17
IUPAC NameN-(2,4-dimethylphenyl)-N-ethyl-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
SMILESCCN(C(=O)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1)c1ccc(C)cc1C
InChIInChI=1S/C23H27F3N2O3S/c1-4-28(20-10-9-16(2)15-17(20)3)22(29)18-11-13-27(14-12-18)32(30,31)21-8-6-5-7-19(21)23(24,25)26/h5-10,15,18H,4,11-14H2,1-3H3
InChIKeyOFUDSDDUVGOGPZ-UHFFFAOYSA-N
XLogP4.78
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.54
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylic acid
CID 2487327
N-(2-anilino-2-oxoethyl)-N-methyl-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 46418466
N-ethyl-N-[(4-methoxyphenyl)methyl]-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 55594107
N-[4-methyl-3-(trifluoromethyl)phenyl]-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 24573050
N-(furan-2-ylmethyl)-N-phenyl-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 16571999
[1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methanol
CID 60956912
1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-ol
CID 43394304
N-[(2-methylphenyl)methyl]-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 27839070
(2-amino-2-oxoethyl) 1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate
CID 2484237
N-(2,6-diethylphenyl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 26880378
N-(2-ethylphenyl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 26208452
N-cyclopropyl-N-(pyridin-2-ylmethyl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 55408979

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-N-ethyl-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(2,4-dimethylphenyl)-N-ethyl-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide (CID 55592026) is N-(2,4-dimethylphenyl)-N-ethyl-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-N-ethyl-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-N-ethyl-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide is CCN(C(=O)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1)c1ccc(C)cc1C.
What is the InChIKey of N-(2,4-dimethylphenyl)-N-ethyl-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide?
The InChIKey is OFUDSDDUVGOGPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F3N2O3S/c1-4-28(20-10-9-16(2)15-17(20)3)22(29)18-11-13-27(14-12-18)32(30,31)21-8-6-5-7-19(21)23(24,25)26/h5-10,15,18H,4,11-14H2,1-3H3.
What are the key properties of N-(2,4-dimethylphenyl)-N-ethyl-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide?
N-(2,4-dimethylphenyl)-N-ethyl-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide has a molecular weight of 468.54 g/mol, XLogP of 4.78, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-N-ethyl-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 55592026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).