N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide

C23H24F3N3O4S — CID 46487299

IUPACN-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(OCC(F)(F)F)c(C#N)c3)CC2)c(C)c1
InChIInChI=1S/C23H24F3N3O4S/c1-15-3-6-21(16(2)11-15)34(31,32)29-9-7-17(8-10-29)22(30)28-19-4-5-20(18(12-19)13-27)33-14-23(24,25)26/h3-6,11-12,17H,7-10,14H2,1-2H3,(H,28,30)
InChIKeyCVFAYDMSXASTTF-UHFFFAOYSA-N
MW495.52 g/mol
LogP4.16
Rot. Bonds6

About N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide

N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 46487299) has the molecular formula C23H24F3N3O4S and a molecular weight of 495.52 g/mol. Its IUPAC name is N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID46487299
Molecular FormulaC23H24F3N3O4S
Molecular Weight495.52 g/mol
Exact Mass495.14
IUPAC NameN-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(OCC(F)(F)F)c(C#N)c3)CC2)c(C)c1
InChIInChI=1S/C23H24F3N3O4S/c1-15-3-6-21(16(2)11-15)34(31,32)29-9-7-17(8-10-29)22(30)28-19-4-5-20(18(12-19)13-27)33-14-23(24,25)26/h3-6,11-12,17H,7-10,14H2,1-2H3,(H,28,30)
InChIKeyCVFAYDMSXASTTF-UHFFFAOYSA-N
XLogP4.16
TPSA99.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.52
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dimethylphenyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 26915423
N-(3,4-dichlorophenyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 71540946
ethyl 4-[[1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carbonyl]amino]benzoate
CID 26253148
N-[3-(1,1-difluoroethyl)phenyl]-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 139012594
1-(2,4-dimethylphenyl)sulfonyl-N-(4-hydroxyphenyl)piperidine-4-carboxamide
CID 71540714
1-(2,4-dimethylphenyl)sulfonyl-N-[4-(methylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 24687024
N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 46470379
1-(2,4-dimethylphenyl)sulfonyl-N-(4-methylsulfonylphenyl)piperidine-4-carboxamide
CID 26239250
N-(4-cyanophenyl)-1-(2,5-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 113008844
N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-2-hydroxycyclopentane-1-carboxamide
CID 110015275
N-(6-amino-3-pyridinyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 119515400
1-(2-cyanophenyl)sulfonyl-N-(3,4-dipropoxyphenyl)piperidine-4-carboxamide
CID 26920976

Frequently Asked Questions

What is the IUPAC name of N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide (CID 46487299) is N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide is Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(OCC(F)(F)F)c(C#N)c3)CC2)c(C)c1.
What is the InChIKey of N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is CVFAYDMSXASTTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N3O4S/c1-15-3-6-21(16(2)11-15)34(31,32)29-9-7-17(8-10-29)22(30)28-19-4-5-20(18(12-19)13-27)33-14-23(24,25)26/h3-6,11-12,17H,7-10,14H2,1-2H3,(H,28,30).
What are the key properties of N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide?
N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 495.52 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 46487299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).