N-ethyl-N-[(4-methoxyphenyl)methyl]-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide

C23H27F3N2O4S — CID 55594107

IUPACN-ethyl-N-[(4-methoxyphenyl)methyl]-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
SMILESCCN(Cc1ccc(OC)cc1)C(=O)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C23H27F3N2O4S/c1-3-27(16-17-8-10-19(32-2)11-9-17)22(29)18-12-14-28(15-13-18)33(30,31)21-7-5-4-6-20(21)23(24,25)26/h4-11,18H,3,12-16H2,1-2H3
InChIKeyWYDHVSZKOKHNAJ-UHFFFAOYSA-N
MW484.54 g/mol
LogP4.16
Rot. Bonds7

About N-ethyl-N-[(4-methoxyphenyl)methyl]-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide

N-ethyl-N-[(4-methoxyphenyl)methyl]-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide (PubChem CID 55594107) has the molecular formula C23H27F3N2O4S and a molecular weight of 484.54 g/mol. Its IUPAC name is N-ethyl-N-[(4-methoxyphenyl)methyl]-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[(4-methoxyphenyl)methyl]-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
PubChem CID55594107
Molecular FormulaC23H27F3N2O4S
Molecular Weight484.54 g/mol
Exact Mass484.16
IUPAC NameN-ethyl-N-[(4-methoxyphenyl)methyl]-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
SMILESCCN(Cc1ccc(OC)cc1)C(=O)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C23H27F3N2O4S/c1-3-27(16-17-8-10-19(32-2)11-9-17)22(29)18-12-14-28(15-13-18)33(30,31)21-7-5-4-6-20(21)23(24,25)26/h4-11,18H,3,12-16H2,1-2H3
InChIKeyWYDHVSZKOKHNAJ-UHFFFAOYSA-N
XLogP4.16
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.54
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzylsulfonyl-N-ethyl-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 55690537
N-benzyl-N-ethyl-1-(3-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 71737574
1-(benzenesulfonyl)-N-benzyl-N-ethylpiperidine-4-carboxamide
CID 26415263
1-(benzenesulfonyl)-N-[(4-methoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide
CID 26250294
(3R)-N-benzyl-N-ethyl-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 71737579
(3S)-N-benzyl-N-ethyl-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 71737581
N-benzyl-1-(2-fluorophenyl)sulfonyl-N-propylpiperidine-4-carboxamide
CID 26292191
1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylic acid
CID 2487327
N-(2,4-dimethylphenyl)-N-ethyl-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 55592026
N-ethyl-N-[(4-methoxyphenyl)methyl]oxane-4-carboxamide
CID 52572788
(2-amino-2-oxoethyl) 1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate
CID 2484237
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 26378756

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(4-methoxyphenyl)methyl]-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-ethyl-N-[(4-methoxyphenyl)methyl]-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide (CID 55594107) is N-ethyl-N-[(4-methoxyphenyl)methyl]-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-ethyl-N-[(4-methoxyphenyl)methyl]-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-ethyl-N-[(4-methoxyphenyl)methyl]-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide is CCN(Cc1ccc(OC)cc1)C(=O)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1.
What is the InChIKey of N-ethyl-N-[(4-methoxyphenyl)methyl]-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide?
The InChIKey is WYDHVSZKOKHNAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F3N2O4S/c1-3-27(16-17-8-10-19(32-2)11-9-17)22(29)18-12-14-28(15-13-18)33(30,31)21-7-5-4-6-20(21)23(24,25)26/h4-11,18H,3,12-16H2,1-2H3.
What are the key properties of N-ethyl-N-[(4-methoxyphenyl)methyl]-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide?
N-ethyl-N-[(4-methoxyphenyl)methyl]-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide has a molecular weight of 484.54 g/mol, XLogP of 4.16, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(4-methoxyphenyl)methyl]-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 55594107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).