1-(3,4-difluorophenyl)sulfonyl-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]piperidine-4-carboxamide

C22H20F3N3O3S2 — CID 26291637

IUPAC1-(3,4-difluorophenyl)sulfonyl-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]piperidine-4-carboxamide
SMILESCc1sc(NC(=O)C2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)nc1-c1ccc(F)cc1
InChIInChI=1S/C22H20F3N3O3S2/c1-13-20(14-2-4-16(23)5-3-14)26-22(32-13)27-21(29)15-8-10-28(11-9-15)33(30,31)17-6-7-18(24)19(25)12-17/h2-7,12,15H,8-11H2,1H3,(H,26,27,29)
InChIKeyCWTZOASRLBKZEP-UHFFFAOYSA-N
MW495.55 g/mol
LogP4.58
Rot. Bonds5

About 1-(3,4-difluorophenyl)sulfonyl-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]piperidine-4-carboxamide

1-(3,4-difluorophenyl)sulfonyl-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]piperidine-4-carboxamide (PubChem CID 26291637) has the molecular formula C22H20F3N3O3S2 and a molecular weight of 495.55 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)sulfonyl-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)sulfonyl-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]piperidine-4-carboxamide
PubChem CID26291637
Molecular FormulaC22H20F3N3O3S2
Molecular Weight495.55 g/mol
Exact Mass495.09
IUPAC Name1-(3,4-difluorophenyl)sulfonyl-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]piperidine-4-carboxamide
SMILESCc1sc(NC(=O)C2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)nc1-c1ccc(F)cc1
InChIInChI=1S/C22H20F3N3O3S2/c1-13-20(14-2-4-16(23)5-3-14)26-22(32-13)27-21(29)15-8-10-28(11-9-15)33(30,31)17-6-7-18(24)19(25)12-17/h2-7,12,15H,8-11H2,1H3,(H,26,27,29)
InChIKeyCWTZOASRLBKZEP-UHFFFAOYSA-N
XLogP4.58
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.55
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 46436053
2-fluoro-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-5-morpholin-4-ylsulfonylbenzamide
CID 26291689
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 16827221
N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]piperidine-4-carboxamide;hydrochloride
CID 119266983
N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 26291752
1-(3,4-difluorophenyl)sulfonyl-N-(4-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 31892415
N-(6-fluoro-1,3-benzothiazol-2-yl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 16831705
N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 51240990
1-(3,4-difluorophenyl)sulfonyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 55340755
N-(3,4-difluorophenyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 24639594
1-(4-chlorophenyl)sulfonyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 16804460
N-(5-chloro-2-methylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 1327118

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)sulfonyl-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]piperidine-4-carboxamide?
The IUPAC name of 1-(3,4-difluorophenyl)sulfonyl-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]piperidine-4-carboxamide (CID 26291637) is 1-(3,4-difluorophenyl)sulfonyl-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(3,4-difluorophenyl)sulfonyl-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-(3,4-difluorophenyl)sulfonyl-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]piperidine-4-carboxamide is Cc1sc(NC(=O)C2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)nc1-c1ccc(F)cc1.
What is the InChIKey of 1-(3,4-difluorophenyl)sulfonyl-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]piperidine-4-carboxamide?
The InChIKey is CWTZOASRLBKZEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N3O3S2/c1-13-20(14-2-4-16(23)5-3-14)26-22(32-13)27-21(29)15-8-10-28(11-9-15)33(30,31)17-6-7-18(24)19(25)12-17/h2-7,12,15H,8-11H2,1H3,(H,26,27,29).
What are the key properties of 1-(3,4-difluorophenyl)sulfonyl-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]piperidine-4-carboxamide?
1-(3,4-difluorophenyl)sulfonyl-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]piperidine-4-carboxamide has a molecular weight of 495.55 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)sulfonyl-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 26291637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).