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

C23H20ClN3O3S3 — CID 16830608

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

1-(5-chlorothiophen-2-yl)sulfonyl-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide (PubChem CID 16830608) has the molecular formula C23H20ClN3O3S3 and a molecular weight of 518.09 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)sulfonyl-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-(5-chlorothiophen-2-yl)sulfonyl-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide
• PubChem CID: 16830608
• Molecular Formula: C23H20ClN3O3S3
• Molecular Weight: 518.09 g/mol
• Exact Mass: 517.04
• IUPAC Name: 1-(5-chlorothiophen-2-yl)sulfonyl-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide
• SMILES: O=C(Nc1nc(-c2cccc3ccccc23)cs1)C1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1
• InChI: InChI=1S/C23H20ClN3O3S3/c24-20-8-9-21(32-20)33(29,30)27-12-10-16(11-13-27)22(28)26-23-25-19(14-31-23)18-7-3-5-15-4-1-2-6-17(15)18/h1-9,14,16H,10-13H2,(H,25,26,28)
• InChIKey: WGEGQDPXPDFYSX-UHFFFAOYSA-N
• XLogP: 5.72
• TPSA: 79.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	518.09
LogP ≤ 5	5.72
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-naphthalen-1-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide?

The IUPAC name of 1-(5-chlorothiophen-2-yl)sulfonyl-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide (CID 16830608) is 1-(5-chlorothiophen-2-yl)sulfonyl-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide.

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

The canonical SMILES for 1-(5-chlorothiophen-2-yl)sulfonyl-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide is O=C(Nc1nc(-c2cccc3ccccc23)cs1)C1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1.

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

The InChIKey is WGEGQDPXPDFYSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN3O3S3/c24-20-8-9-21(32-20)33(29,30)27-12-10-16(11-13-27)22(28)26-23-25-19(14-31-23)18-7-3-5-15-4-1-2-6-17(15)18/h1-9,14,16H,10-13H2,(H,25,26,28).

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

1-(5-chlorothiophen-2-yl)sulfonyl-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide has a molecular weight of 518.09 g/mol, XLogP of 5.72, 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-naphthalen-1-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 16830608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).