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

C24H27N3O3S2 — CID 46532670

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

1-(benzenesulfonyl)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]piperidine-2-carboxamide (PubChem CID 46532670) has the molecular formula C24H27N3O3S2 and a molecular weight of 469.63 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]piperidine-2-carboxamide.

Molecular Properties

• Compound Name: 1-(benzenesulfonyl)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]piperidine-2-carboxamide
• PubChem CID: 46532670
• Molecular Formula: C24H27N3O3S2
• Molecular Weight: 469.63 g/mol
• Exact Mass: 469.15
• IUPAC Name: 1-(benzenesulfonyl)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]piperidine-2-carboxamide
• SMILES: Cc1nc(-c2ccc(CCNC(=O)C3CCCCN3S(=O)(=O)c3ccccc3)cc2)cs1
• InChI: InChI=1S/C24H27N3O3S2/c1-18-26-22(17-31-18)20-12-10-19(11-13-20)14-15-25-24(28)23-9-5-6-16-27(23)32(29,30)21-7-3-2-4-8-21/h2-4,7-8,10-13,17,23H,5-6,9,14-16H2,1H3,(H,25,28)
• InChIKey: VCYJEKPUOFOKQA-UHFFFAOYSA-N
• XLogP: 4.02
• TPSA: 79.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	469.63
LogP ≤ 5	4.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 1-(benzenesulfonyl)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]piperidine-2-carboxamide (CID 46532670) is 1-(benzenesulfonyl)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]piperidine-2-carboxamide.

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

The canonical SMILES for 1-(benzenesulfonyl)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]piperidine-2-carboxamide is Cc1nc(-c2ccc(CCNC(=O)C3CCCCN3S(=O)(=O)c3ccccc3)cc2)cs1.

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

The InChIKey is VCYJEKPUOFOKQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3S2/c1-18-26-22(17-31-18)20-12-10-19(11-13-20)14-15-25-24(28)23-9-5-6-16-27(23)32(29,30)21-7-3-2-4-8-21/h2-4,7-8,10-13,17,23H,5-6,9,14-16H2,1H3,(H,25,28).

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

1-(benzenesulfonyl)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]piperidine-2-carboxamide has a molecular weight of 469.63 g/mol, XLogP of 4.02, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(benzenesulfonyl)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]piperidine-2-carboxamide is sourced from PubChem (CID 46532670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).