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

C24H27N3O5S2 — CID 100795659

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

1-(3,4-dimethoxyphenyl)sulfonyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide (PubChem CID 100795659) has the molecular formula C24H27N3O5S2 and a molecular weight of 501.63 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)sulfonyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-(3,4-dimethoxyphenyl)sulfonyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide
• PubChem CID: 100795659
• Molecular Formula: C24H27N3O5S2
• Molecular Weight: 501.63 g/mol
• Exact Mass: 501.14
• IUPAC Name: 1-(3,4-dimethoxyphenyl)sulfonyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide
• SMILES: COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cccc(-c4csc(C)n4)c3)CC2)cc1OC
• InChI: InChI=1S/C24H27N3O5S2/c1-16-25-21(15-33-16)18-5-4-6-19(13-18)26-24(28)17-9-11-27(12-10-17)34(29,30)20-7-8-22(31-2)23(14-20)32-3/h4-8,13-15,17H,9-12H2,1-3H3,(H,26,28)
• InChIKey: RGFUFSKPVCWIJW-UHFFFAOYSA-N
• XLogP: 4.18
• TPSA: 97.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	501.63
LogP ≤ 5	4.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)sulfonyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide?

The IUPAC name of 1-(3,4-dimethoxyphenyl)sulfonyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide (CID 100795659) is 1-(3,4-dimethoxyphenyl)sulfonyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide.

What is the SMILES notation for 1-(3,4-dimethoxyphenyl)sulfonyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide?

The canonical SMILES for 1-(3,4-dimethoxyphenyl)sulfonyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide is COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cccc(-c4csc(C)n4)c3)CC2)cc1OC.

What is the InChIKey of 1-(3,4-dimethoxyphenyl)sulfonyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide?

The InChIKey is RGFUFSKPVCWIJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O5S2/c1-16-25-21(15-33-16)18-5-4-6-19(13-18)26-24(28)17-9-11-27(12-10-17)34(29,30)20-7-8-22(31-2)23(14-20)32-3/h4-8,13-15,17H,9-12H2,1-3H3,(H,26,28).

What are the key properties of 1-(3,4-dimethoxyphenyl)sulfonyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide?

1-(3,4-dimethoxyphenyl)sulfonyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide has a molecular weight of 501.63 g/mol, XLogP of 4.18, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3,4-dimethoxyphenyl)sulfonyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 100795659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).