1-(5-chlorothiophen-2-yl)sulfonyl-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide

C20H22ClN3O3S3 — CID 16938543

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

1-(5-chlorothiophen-2-yl)sulfonyl-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide (PubChem CID 16938543) has the molecular formula C20H22ClN3O3S3 and a molecular weight of 484.07 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)sulfonyl-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-(5-chlorothiophen-2-yl)sulfonyl-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
• PubChem CID: 16938543
• Molecular Formula: C20H22ClN3O3S3
• Molecular Weight: 484.07 g/mol
• Exact Mass: 483.05
• IUPAC Name: 1-(5-chlorothiophen-2-yl)sulfonyl-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
• SMILES: CC(C)c1cccc2sc(NC(=O)C3CCCN(S(=O)(=O)c4ccc(Cl)s4)C3)nc12
• InChI: InChI=1S/C20H22ClN3O3S3/c1-12(2)14-6-3-7-15-18(14)22-20(28-15)23-19(25)13-5-4-10-24(11-13)30(26,27)17-9-8-16(21)29-17/h3,6-9,12-13H,4-5,10-11H2,1-2H3,(H,22,23,25)
• InChIKey: RAPZBOCCCFCLNE-UHFFFAOYSA-N
• XLogP: 5.17
• 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	484.07
LogP ≤ 5	5.17
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-propan-2-yl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide?

The IUPAC name of 1-(5-chlorothiophen-2-yl)sulfonyl-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide (CID 16938543) is 1-(5-chlorothiophen-2-yl)sulfonyl-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide.

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

The canonical SMILES for 1-(5-chlorothiophen-2-yl)sulfonyl-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide is CC(C)c1cccc2sc(NC(=O)C3CCCN(S(=O)(=O)c4ccc(Cl)s4)C3)nc12.

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

The InChIKey is RAPZBOCCCFCLNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O3S3/c1-12(2)14-6-3-7-15-18(14)22-20(28-15)23-19(25)13-5-4-10-24(11-13)30(26,27)17-9-8-16(21)29-17/h3,6-9,12-13H,4-5,10-11H2,1-2H3,(H,22,23,25).

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

1-(5-chlorothiophen-2-yl)sulfonyl-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide has a molecular weight of 484.07 g/mol, XLogP of 5.17, 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-propan-2-yl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 16938543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).