2-[1-(3-chloro-4-methylphenyl)sulfonylpiperidin-4-yl]-N-(2-fluoro-4-methylphenyl)-1,3-thiazole-4-carboxamide

C23H23ClFN3O3S2 — CID 3343606

IUPAC2-[1-(3-chloro-4-methylphenyl)sulfonylpiperidin-4-yl]-N-(2-fluoro-4-methylphenyl)-1,3-thiazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2csc(C3CCN(S(=O)(=O)c4ccc(C)c(Cl)c4)CC3)n2)c(F)c1
InChIInChI=1S/C23H23ClFN3O3S2/c1-14-3-6-20(19(25)11-14)26-22(29)21-13-32-23(27-21)16-7-9-28(10-8-16)33(30,31)17-5-4-15(2)18(24)12-17/h3-6,11-13,16H,7-10H2,1-2H3,(H,26,29)
InChIKeyRGQWPXBRLWRYFX-UHFFFAOYSA-N
MW508.04 g/mol
LogP5.37
Rot. Bonds5

About 2-[1-(3-chloro-4-methylphenyl)sulfonylpiperidin-4-yl]-N-(2-fluoro-4-methylphenyl)-1,3-thiazole-4-carboxamide

2-[1-(3-chloro-4-methylphenyl)sulfonylpiperidin-4-yl]-N-(2-fluoro-4-methylphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 3343606) has the molecular formula C23H23ClFN3O3S2 and a molecular weight of 508.04 g/mol. Its IUPAC name is 2-[1-(3-chloro-4-methylphenyl)sulfonylpiperidin-4-yl]-N-(2-fluoro-4-methylphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[1-(3-chloro-4-methylphenyl)sulfonylpiperidin-4-yl]-N-(2-fluoro-4-methylphenyl)-1,3-thiazole-4-carboxamide
PubChem CID3343606
Molecular FormulaC23H23ClFN3O3S2
Molecular Weight508.04 g/mol
Exact Mass507.09
IUPAC Name2-[1-(3-chloro-4-methylphenyl)sulfonylpiperidin-4-yl]-N-(2-fluoro-4-methylphenyl)-1,3-thiazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2csc(C3CCN(S(=O)(=O)c4ccc(C)c(Cl)c4)CC3)n2)c(F)c1
InChIInChI=1S/C23H23ClFN3O3S2/c1-14-3-6-20(19(25)11-14)26-22(29)21-13-32-23(27-21)16-7-9-28(10-8-16)33(30,31)17-5-4-15(2)18(24)12-17/h3-6,11-13,16H,7-10H2,1-2H3,(H,26,29)
InChIKeyRGQWPXBRLWRYFX-UHFFFAOYSA-N
XLogP5.37
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.04
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-chloro-4-methylphenyl)methyl]-2-[1-(3-chloro-4-methylphenyl)sulfonylpiperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 3846214
2-[1-(3-chloro-4-methylphenyl)sulfonylpiperidin-4-yl]-N'-(pyridine-2-carbonyl)-1,3-thiazole-4-carbohydrazide
CID 3866651
ethyl N-[[2-[1-(3-chloro-4-methylphenyl)sulfonylpiperidin-4-yl]-1,3-thiazole-4-carbonyl]amino]carbamate
CID 3694716
2-[1-(3-chloro-4-methylphenyl)sulfonylpiperidin-4-yl]-N-quinolin-6-yl-1,3-thiazole-4-carboxamide
CID 5010874
2-[1-(3-chloro-4-methylphenyl)sulfonylpiperidin-4-yl]-N-[(2-methylsulfanylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 5004948
[2-[1-(3-chloro-4-methylphenyl)sulfonylpiperidin-4-yl]-1,3-thiazol-4-yl]-(4,4-dimethyl-1,3-oxazolidin-3-yl)methanone
CID 23913159
2-[1-(3-chloro-4-methylphenyl)sulfonylpiperidin-4-yl]-N-[(3,5-dimethoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 3309773
N-(1H-benzimidazol-2-ylmethyl)-2-[1-(3-chloro-4-methylphenyl)sulfonylpiperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 5007887
2-[1-(3-chloro-4-methylphenyl)sulfonylpiperidin-4-yl]-N-[1-(2,6-dimethylphenoxy)propan-2-yl]-1,3-thiazole-4-carboxamide
CID 5004940
2-[1-(3-chloro-4-methylphenyl)sulfonylpiperidin-4-yl]-N-(5-prop-2-ynylsulfanyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 23963634
2-[1-(3-chloro-4-methylphenyl)sulfonylpiperidin-4-yl]-N-[[2-(difluoromethoxy)phenyl]methyl]-1,3-thiazole-4-carboxamide
CID 5004852
2-[1-(3-chloro-4-methylphenyl)sulfonylpiperidin-4-yl]-N'-methyl-N'-(3-nitro-2-pyridinyl)-1,3-thiazole-4-carbohydrazide
CID 3873770

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-chloro-4-methylphenyl)sulfonylpiperidin-4-yl]-N-(2-fluoro-4-methylphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[1-(3-chloro-4-methylphenyl)sulfonylpiperidin-4-yl]-N-(2-fluoro-4-methylphenyl)-1,3-thiazole-4-carboxamide (CID 3343606) is 2-[1-(3-chloro-4-methylphenyl)sulfonylpiperidin-4-yl]-N-(2-fluoro-4-methylphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[1-(3-chloro-4-methylphenyl)sulfonylpiperidin-4-yl]-N-(2-fluoro-4-methylphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[1-(3-chloro-4-methylphenyl)sulfonylpiperidin-4-yl]-N-(2-fluoro-4-methylphenyl)-1,3-thiazole-4-carboxamide is Cc1ccc(NC(=O)c2csc(C3CCN(S(=O)(=O)c4ccc(C)c(Cl)c4)CC3)n2)c(F)c1.
What is the InChIKey of 2-[1-(3-chloro-4-methylphenyl)sulfonylpiperidin-4-yl]-N-(2-fluoro-4-methylphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is RGQWPXBRLWRYFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClFN3O3S2/c1-14-3-6-20(19(25)11-14)26-22(29)21-13-32-23(27-21)16-7-9-28(10-8-16)33(30,31)17-5-4-15(2)18(24)12-17/h3-6,11-13,16H,7-10H2,1-2H3,(H,26,29).
What are the key properties of 2-[1-(3-chloro-4-methylphenyl)sulfonylpiperidin-4-yl]-N-(2-fluoro-4-methylphenyl)-1,3-thiazole-4-carboxamide?
2-[1-(3-chloro-4-methylphenyl)sulfonylpiperidin-4-yl]-N-(2-fluoro-4-methylphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 508.04 g/mol, XLogP of 5.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-chloro-4-methylphenyl)sulfonylpiperidin-4-yl]-N-(2-fluoro-4-methylphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 3343606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).