1-(4-chlorophenyl)sulfonyl-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]piperidine-3-carboxamide

C23H24ClN3O5S2 — CID 16861657

IUPAC1-(4-chlorophenyl)sulfonyl-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]piperidine-3-carboxamide
SMILESCOc1ccc(OC)c(-c2csc(NC(=O)C3CCCN(S(=O)(=O)c4ccc(Cl)cc4)C3)n2)c1
InChIInChI=1S/C23H24ClN3O5S2/c1-31-17-7-10-21(32-2)19(12-17)20-14-33-23(25-20)26-22(28)15-4-3-11-27(13-15)34(29,30)18-8-5-16(24)6-9-18/h5-10,12,14-15H,3-4,11,13H2,1-2H3,(H,25,26,28)
InChIKeyUMCCAQRRPSSXBD-UHFFFAOYSA-N
MW522.05 g/mol
LogP4.52
Rot. Bonds7

About 1-(4-chlorophenyl)sulfonyl-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]piperidine-3-carboxamide

1-(4-chlorophenyl)sulfonyl-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]piperidine-3-carboxamide (PubChem CID 16861657) has the molecular formula C23H24ClN3O5S2 and a molecular weight of 522.05 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]piperidine-3-carboxamide
PubChem CID16861657
Molecular FormulaC23H24ClN3O5S2
Molecular Weight522.05 g/mol
Exact Mass521.08
IUPAC Name1-(4-chlorophenyl)sulfonyl-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]piperidine-3-carboxamide
SMILESCOc1ccc(OC)c(-c2csc(NC(=O)C3CCCN(S(=O)(=O)c4ccc(Cl)cc4)C3)n2)c1
InChIInChI=1S/C23H24ClN3O5S2/c1-31-17-7-10-21(32-2)19(12-17)20-14-33-23(25-20)26-22(28)15-4-3-11-27(13-15)34(29,30)18-8-5-16(24)6-9-18/h5-10,12,14-15H,3-4,11,13H2,1-2H3,(H,25,26,28)
InChIKeyUMCCAQRRPSSXBD-UHFFFAOYSA-N
XLogP4.52
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.05
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-piperidin-1-ylsulfonylbenzamide
CID 4188572
1-(4-methoxyphenyl)sulfonyl-N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]piperidine-3-carboxamide
CID 16862826
1-(4-methoxyphenyl)sulfonyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 46632633
1-(benzenesulfonyl)-N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]piperidine-3-carboxamide
CID 16828919
N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 16829248
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 24534942
(3R)-N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 100666999
N-[5-chloro-2-(3-methoxyphenoxy)phenyl]-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxamide
CID 133189573
N-(2-chloro-4,5-dimethoxyphenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 24685730
N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 16828927
(3S)-1-(3-chloro-4-methoxyphenyl)sulfonyl-N-(4-methoxyphenyl)piperidine-3-carboxamide
CID 1081686
(3S)-1-(benzenesulfonyl)-N-[5-chloro-2-(4-methoxyphenoxy)phenyl]piperidine-3-carboxamide
CID 100662079

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]piperidine-3-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]piperidine-3-carboxamide (CID 16861657) is 1-(4-chlorophenyl)sulfonyl-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]piperidine-3-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]piperidine-3-carboxamide is COc1ccc(OC)c(-c2csc(NC(=O)C3CCCN(S(=O)(=O)c4ccc(Cl)cc4)C3)n2)c1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]piperidine-3-carboxamide?
The InChIKey is UMCCAQRRPSSXBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O5S2/c1-31-17-7-10-21(32-2)19(12-17)20-14-33-23(25-20)26-22(28)15-4-3-11-27(13-15)34(29,30)18-8-5-16(24)6-9-18/h5-10,12,14-15H,3-4,11,13H2,1-2H3,(H,25,26,28).
What are the key properties of 1-(4-chlorophenyl)sulfonyl-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]piperidine-3-carboxamide?
1-(4-chlorophenyl)sulfonyl-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]piperidine-3-carboxamide has a molecular weight of 522.05 g/mol, XLogP of 4.52, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonyl-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]piperidine-3-carboxamide is sourced from PubChem (CID 16861657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).