1-(4-fluorophenyl)sulfonyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]piperidine-3-carboxamide

C24H26FN3O3S2 — CID 46632803

IUPAC1-(4-fluorophenyl)sulfonyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]piperidine-3-carboxamide
SMILESCc1nc(-c2ccc(CCNC(=O)C3CCCN(S(=O)(=O)c4ccc(F)cc4)C3)cc2)cs1
InChIInChI=1S/C24H26FN3O3S2/c1-17-27-23(16-32-17)19-6-4-18(5-7-19)12-13-26-24(29)20-3-2-14-28(15-20)33(30,31)22-10-8-21(25)9-11-22/h4-11,16,20H,2-3,12-15H2,1H3,(H,26,29)
InChIKeyAJZZKPATZVGTFH-UHFFFAOYSA-N
MW487.62 g/mol
LogP4.02
Rot. Bonds7

About 1-(4-fluorophenyl)sulfonyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]piperidine-3-carboxamide

1-(4-fluorophenyl)sulfonyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]piperidine-3-carboxamide (PubChem CID 46632803) has the molecular formula C24H26FN3O3S2 and a molecular weight of 487.62 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfonyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfonyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]piperidine-3-carboxamide
PubChem CID46632803
Molecular FormulaC24H26FN3O3S2
Molecular Weight487.62 g/mol
Exact Mass487.14
IUPAC Name1-(4-fluorophenyl)sulfonyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]piperidine-3-carboxamide
SMILESCc1nc(-c2ccc(CCNC(=O)C3CCCN(S(=O)(=O)c4ccc(F)cc4)C3)cc2)cs1
InChIInChI=1S/C24H26FN3O3S2/c1-17-27-23(16-32-17)19-6-4-18(5-7-19)12-13-26-24(29)20-3-2-14-28(15-20)33(30,31)22-10-8-21(25)9-11-22/h4-11,16,20H,2-3,12-15H2,1H3,(H,26,29)
InChIKeyAJZZKPATZVGTFH-UHFFFAOYSA-N
XLogP4.02
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.62
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-N-[2-(4-fluorophenyl)ethyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 9210573
1-(4-fluorophenyl)sulfonyl-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]piperidine-4-carboxamide
CID 24509082
N-[3-(4-fluorophenyl)propyl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 133168061
1-(4-methylphenyl)sulfonyl-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]piperidine-3-carboxamide
CID 133197596
1-(benzenesulfonyl)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]piperidine-2-carboxamide
CID 46532670
1-(4-fluorophenyl)sulfonyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]piperidine-3-carboxamide
CID 46521389
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 2968136
1-(4-fluorophenyl)sulfonyl-N-[2-(methylamino)ethyl]piperidine-3-carboxamide
CID 119499977
N-[3-(4-ethoxyphenyl)propyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 133168291
N-[2-(cyclohexanecarbonylamino)ethyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 55805767
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]piperidine-3-carboxamide
CID 24533422
4-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672380

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfonyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]piperidine-3-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)sulfonyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]piperidine-3-carboxamide (CID 46632803) is 1-(4-fluorophenyl)sulfonyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)sulfonyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)sulfonyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]piperidine-3-carboxamide is Cc1nc(-c2ccc(CCNC(=O)C3CCCN(S(=O)(=O)c4ccc(F)cc4)C3)cc2)cs1.
What is the InChIKey of 1-(4-fluorophenyl)sulfonyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]piperidine-3-carboxamide?
The InChIKey is AJZZKPATZVGTFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN3O3S2/c1-17-27-23(16-32-17)19-6-4-18(5-7-19)12-13-26-24(29)20-3-2-14-28(15-20)33(30,31)22-10-8-21(25)9-11-22/h4-11,16,20H,2-3,12-15H2,1H3,(H,26,29).
What are the key properties of 1-(4-fluorophenyl)sulfonyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]piperidine-3-carboxamide?
1-(4-fluorophenyl)sulfonyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]piperidine-3-carboxamide has a molecular weight of 487.62 g/mol, XLogP of 4.02, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfonyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 46632803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).