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

C20H20ClN3O3S3 — CID 16826619

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

1-(5-chlorothiophen-2-yl)sulfonyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]piperidine-2-carboxamide (PubChem CID 16826619) has the molecular formula C20H20ClN3O3S3 and a molecular weight of 482.05 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)sulfonyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]piperidine-2-carboxamide.

Molecular Properties

• Compound Name: 1-(5-chlorothiophen-2-yl)sulfonyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]piperidine-2-carboxamide
• PubChem CID: 16826619
• Molecular Formula: C20H20ClN3O3S3
• Molecular Weight: 482.05 g/mol
• Exact Mass: 481.04
• IUPAC Name: 1-(5-chlorothiophen-2-yl)sulfonyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]piperidine-2-carboxamide
• SMILES: Cc1ccc(-c2csc(NC(=O)C3CCCCN3S(=O)(=O)c3ccc(Cl)s3)n2)cc1
• InChI: InChI=1S/C20H20ClN3O3S3/c1-13-5-7-14(8-6-13)15-12-28-20(22-15)23-19(25)16-4-2-3-11-24(16)30(26,27)18-10-9-17(21)29-18/h5-10,12,16H,2-4,11H2,1H3,(H,22,23,25)
• InChIKey: DYEUUQZEERCAKT-UHFFFAOYSA-N
• XLogP: 5.02
• TPSA: 79.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	482.05
LogP ≤ 5	5.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)sulfonyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]piperidine-2-carboxamide?

The IUPAC name of 1-(5-chlorothiophen-2-yl)sulfonyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]piperidine-2-carboxamide (CID 16826619) is 1-(5-chlorothiophen-2-yl)sulfonyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]piperidine-2-carboxamide.

What is the SMILES notation for 1-(5-chlorothiophen-2-yl)sulfonyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]piperidine-2-carboxamide?

The canonical SMILES for 1-(5-chlorothiophen-2-yl)sulfonyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]piperidine-2-carboxamide is Cc1ccc(-c2csc(NC(=O)C3CCCCN3S(=O)(=O)c3ccc(Cl)s3)n2)cc1.

What is the InChIKey of 1-(5-chlorothiophen-2-yl)sulfonyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]piperidine-2-carboxamide?

The InChIKey is DYEUUQZEERCAKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O3S3/c1-13-5-7-14(8-6-13)15-12-28-20(22-15)23-19(25)16-4-2-3-11-24(16)30(26,27)18-10-9-17(21)29-18/h5-10,12,16H,2-4,11H2,1H3,(H,22,23,25).

What are the key properties of 1-(5-chlorothiophen-2-yl)sulfonyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]piperidine-2-carboxamide?

1-(5-chlorothiophen-2-yl)sulfonyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]piperidine-2-carboxamide has a molecular weight of 482.05 g/mol, XLogP of 5.02, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(5-chlorothiophen-2-yl)sulfonyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]piperidine-2-carboxamide is sourced from PubChem (CID 16826619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).