1-(2,5-dimethylphenyl)sulfonyl-N-[1-(4-fluorophenyl)ethyl]piperidine-4-carboxamide

C22H27FN2O3S — CID 133255016

IUPAC1-(2,5-dimethylphenyl)sulfonyl-N-[1-(4-fluorophenyl)ethyl]piperidine-4-carboxamide
SMILESCc1ccc(C)c(S(=O)(=O)N2CCC(C(=O)NC(C)c3ccc(F)cc3)CC2)c1
InChIInChI=1S/C22H27FN2O3S/c1-15-4-5-16(2)21(14-15)29(27,28)25-12-10-19(11-13-25)22(26)24-17(3)18-6-8-20(23)9-7-18/h4-9,14,17,19H,10-13H2,1-3H3,(H,24,26)
InChIKeyLKIFBJVEXLXNRL-UHFFFAOYSA-N
MW418.53 g/mol
LogP3.72
Rot. Bonds5

About 1-(2,5-dimethylphenyl)sulfonyl-N-[1-(4-fluorophenyl)ethyl]piperidine-4-carboxamide

1-(2,5-dimethylphenyl)sulfonyl-N-[1-(4-fluorophenyl)ethyl]piperidine-4-carboxamide (PubChem CID 133255016) has the molecular formula C22H27FN2O3S and a molecular weight of 418.53 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)sulfonyl-N-[1-(4-fluorophenyl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)sulfonyl-N-[1-(4-fluorophenyl)ethyl]piperidine-4-carboxamide
PubChem CID133255016
Molecular FormulaC22H27FN2O3S
Molecular Weight418.53 g/mol
Exact Mass418.17
IUPAC Name1-(2,5-dimethylphenyl)sulfonyl-N-[1-(4-fluorophenyl)ethyl]piperidine-4-carboxamide
SMILESCc1ccc(C)c(S(=O)(=O)N2CCC(C(=O)NC(C)c3ccc(F)cc3)CC2)c1
InChIInChI=1S/C22H27FN2O3S/c1-15-4-5-16(2)21(14-15)29(27,28)25-12-10-19(11-13-25)22(26)24-17(3)18-6-8-20(23)9-7-18/h4-9,14,17,19H,10-13H2,1-3H3,(H,24,26)
InChIKeyLKIFBJVEXLXNRL-UHFFFAOYSA-N
XLogP3.72
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.53
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dimethylphenyl)sulfonyl-N-(1-phenylethyl)piperidine-4-carboxamide
CID 133255017
1-(2,5-dimethylphenyl)sulfonyl-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide
CID 100780467
1-(2-methyl-5-nitrophenyl)sulfonyl-N-[1-(4-methylphenyl)ethyl]piperidine-4-carboxamide
CID 55577483
N-[1-(2,4-dimethylphenyl)ethyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 133167121
N-[1-(2,5-difluorophenyl)ethyl]-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 46591322
1-(2,5-dimethylphenyl)sulfonyl-N-(1-phenylethyl)piperidine-3-carboxamide
CID 133254929
(3R)-N-[(1R)-1-(4-fluorophenyl)ethyl]-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 125043950
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 28551367
1-(2,5-dimethylphenyl)sulfonyl-N-ethylpiperidine-4-carboxamide
CID 27234823
N-[(1R)-1-(4-tert-butylphenyl)ethyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 95601230
N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 55501636
1-(2,6-dichlorophenyl)sulfonyl-N-[1-(4-methylphenyl)ethyl]piperidine-4-carboxamide
CID 55577188

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)sulfonyl-N-[1-(4-fluorophenyl)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-(2,5-dimethylphenyl)sulfonyl-N-[1-(4-fluorophenyl)ethyl]piperidine-4-carboxamide (CID 133255016) is 1-(2,5-dimethylphenyl)sulfonyl-N-[1-(4-fluorophenyl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(2,5-dimethylphenyl)sulfonyl-N-[1-(4-fluorophenyl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(2,5-dimethylphenyl)sulfonyl-N-[1-(4-fluorophenyl)ethyl]piperidine-4-carboxamide is Cc1ccc(C)c(S(=O)(=O)N2CCC(C(=O)NC(C)c3ccc(F)cc3)CC2)c1.
What is the InChIKey of 1-(2,5-dimethylphenyl)sulfonyl-N-[1-(4-fluorophenyl)ethyl]piperidine-4-carboxamide?
The InChIKey is LKIFBJVEXLXNRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O3S/c1-15-4-5-16(2)21(14-15)29(27,28)25-12-10-19(11-13-25)22(26)24-17(3)18-6-8-20(23)9-7-18/h4-9,14,17,19H,10-13H2,1-3H3,(H,24,26).
What are the key properties of 1-(2,5-dimethylphenyl)sulfonyl-N-[1-(4-fluorophenyl)ethyl]piperidine-4-carboxamide?
1-(2,5-dimethylphenyl)sulfonyl-N-[1-(4-fluorophenyl)ethyl]piperidine-4-carboxamide has a molecular weight of 418.53 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)sulfonyl-N-[1-(4-fluorophenyl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 133255016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).