N-[[3-(ethylcarbamoyl)phenyl]methyl]-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide

C23H26F3N3O4S — CID 55724009

IUPACN-[[3-(ethylcarbamoyl)phenyl]methyl]-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
SMILESCCNC(=O)c1cccc(CNC(=O)C2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)c1
InChIInChI=1S/C23H26F3N3O4S/c1-2-27-22(31)18-7-5-6-16(14-18)15-28-21(30)17-10-12-29(13-11-17)34(32,33)20-9-4-3-8-19(20)23(24,25)26/h3-9,14,17H,2,10-13,15H2,1H3,(H,27,31)(H,28,30)
InChIKeyKDLYXUIRUDFFNU-UHFFFAOYSA-N
MW497.54 g/mol
LogP3.17
Rot. Bonds7

About N-[[3-(ethylcarbamoyl)phenyl]methyl]-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide

N-[[3-(ethylcarbamoyl)phenyl]methyl]-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide (PubChem CID 55724009) has the molecular formula C23H26F3N3O4S and a molecular weight of 497.54 g/mol. Its IUPAC name is N-[[3-(ethylcarbamoyl)phenyl]methyl]-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[[3-(ethylcarbamoyl)phenyl]methyl]-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
PubChem CID55724009
Molecular FormulaC23H26F3N3O4S
Molecular Weight497.54 g/mol
Exact Mass497.16
IUPAC NameN-[[3-(ethylcarbamoyl)phenyl]methyl]-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
SMILESCCNC(=O)c1cccc(CNC(=O)C2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)c1
InChIInChI=1S/C23H26F3N3O4S/c1-2-27-22(31)18-7-5-6-16(14-18)15-28-21(30)17-10-12-29(13-11-17)34(32,33)20-9-4-3-8-19(20)23(24,25)26/h3-9,14,17H,2,10-13,15H2,1H3,(H,27,31)(H,28,30)
InChIKeyKDLYXUIRUDFFNU-UHFFFAOYSA-N
XLogP3.17
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.54
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-dimethylphenyl)sulfonyl-N-[[3-(ethylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide
CID 55724146
N-[(2-methylphenyl)methyl]-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 27839070
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[[3-(ethylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide
CID 55724053
N-[2-(cyclohexanecarbonylamino)ethyl]-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 55806126
N-(2,6-diethylphenyl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 26880378
N-[[3-(ethylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide
CID 119295612
N-(3-phenylprop-2-ynyl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 17459265
N-(2-ethylphenyl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 26208452
N-ethyl-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 40630207
N-(2-methyl-2-morpholin-4-ylpropyl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 24638481
1-(3,4-dimethylphenyl)sulfonyl-N-[[3-(methylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide
CID 32870346
1-(4-methylphenyl)sulfonyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 26241503

Frequently Asked Questions

What is the IUPAC name of N-[[3-(ethylcarbamoyl)phenyl]methyl]-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[[3-(ethylcarbamoyl)phenyl]methyl]-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide (CID 55724009) is N-[[3-(ethylcarbamoyl)phenyl]methyl]-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[[3-(ethylcarbamoyl)phenyl]methyl]-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[[3-(ethylcarbamoyl)phenyl]methyl]-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide is CCNC(=O)c1cccc(CNC(=O)C2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)c1.
What is the InChIKey of N-[[3-(ethylcarbamoyl)phenyl]methyl]-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide?
The InChIKey is KDLYXUIRUDFFNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F3N3O4S/c1-2-27-22(31)18-7-5-6-16(14-18)15-28-21(30)17-10-12-29(13-11-17)34(32,33)20-9-4-3-8-19(20)23(24,25)26/h3-9,14,17H,2,10-13,15H2,1H3,(H,27,31)(H,28,30).
What are the key properties of N-[[3-(ethylcarbamoyl)phenyl]methyl]-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide?
N-[[3-(ethylcarbamoyl)phenyl]methyl]-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide has a molecular weight of 497.54 g/mol, XLogP of 3.17, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(ethylcarbamoyl)phenyl]methyl]-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 55724009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).