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

C28H27N3O3S2 — CID 16829147

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

1-(4-methylphenyl)sulfonyl-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]piperidine-3-carboxamide (PubChem CID 16829147) has the molecular formula C28H27N3O3S2 and a molecular weight of 517.68 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfonyl-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-(4-methylphenyl)sulfonyl-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]piperidine-3-carboxamide
• PubChem CID: 16829147
• Molecular Formula: C28H27N3O3S2
• Molecular Weight: 517.68 g/mol
• Exact Mass: 517.15
• IUPAC Name: 1-(4-methylphenyl)sulfonyl-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]piperidine-3-carboxamide
• SMILES: Cc1ccc(S(=O)(=O)N2CCCC(C(=O)Nc3nc(-c4ccc(-c5ccccc5)cc4)cs3)C2)cc1
• InChI: InChI=1S/C28H27N3O3S2/c1-20-9-15-25(16-10-20)36(33,34)31-17-5-8-24(18-31)27(32)30-28-29-26(19-35-28)23-13-11-22(12-14-23)21-6-3-2-4-7-21/h2-4,6-7,9-16,19,24H,5,8,17-18H2,1H3,(H,29,30,32)
• InChIKey: XFHQHOJSKOUDPG-UHFFFAOYSA-N
• XLogP: 5.82
• TPSA: 79.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	517.68
LogP ≤ 5	5.82
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 1-(4-methylphenyl)sulfonyl-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]piperidine-3-carboxamide (CID 16829147) is 1-(4-methylphenyl)sulfonyl-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]piperidine-3-carboxamide.

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

The canonical SMILES for 1-(4-methylphenyl)sulfonyl-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]piperidine-3-carboxamide is Cc1ccc(S(=O)(=O)N2CCCC(C(=O)Nc3nc(-c4ccc(-c5ccccc5)cc4)cs3)C2)cc1.

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

The InChIKey is XFHQHOJSKOUDPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N3O3S2/c1-20-9-15-25(16-10-20)36(33,34)31-17-5-8-24(18-31)27(32)30-28-29-26(19-35-28)23-13-11-22(12-14-23)21-6-3-2-4-7-21/h2-4,6-7,9-16,19,24H,5,8,17-18H2,1H3,(H,29,30,32).

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

1-(4-methylphenyl)sulfonyl-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]piperidine-3-carboxamide has a molecular weight of 517.68 g/mol, XLogP of 5.82, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-methylphenyl)sulfonyl-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]piperidine-3-carboxamide is sourced from PubChem (CID 16829147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).