1-[(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)sulfonyl]-N-pyridin-2-ylpiperidine-4-carboxamide

C21H24N4O4S2 — CID 53106305

About 1-[(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)sulfonyl]-N-pyridin-2-ylpiperidine-4-carboxamide

1-[(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)sulfonyl]-N-pyridin-2-ylpiperidine-4-carboxamide (PubChem CID 53106305) has the molecular formula C21H24N4O4S2 and a molecular weight of 460.58 g/mol. Its IUPAC name is 1-[(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)sulfonyl]-N-pyridin-2-ylpiperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-[(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)sulfonyl]-N-pyridin-2-ylpiperidine-4-carboxamide
• PubChem CID: 53106305
• Molecular Formula: C21H24N4O4S2
• Molecular Weight: 460.58 g/mol
• Exact Mass: 460.12
• IUPAC Name: 1-[(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)sulfonyl]-N-pyridin-2-ylpiperidine-4-carboxamide
• SMILES: CC(C)n1c(=O)sc2cc(S(=O)(=O)N3CCC(C(=O)Nc4ccccn4)CC3)ccc21
• InChI: InChI=1S/C21H24N4O4S2/c1-14(2)25-17-7-6-16(13-18(17)30-21(25)27)31(28,29)24-11-8-15(9-12-24)20(26)23-19-5-3-4-10-22-19/h3-7,10,13-15H,8-9,11-12H2,1-2H3,(H,22,23,26)
• InChIKey: WJIOELLPTLZKRJ-UHFFFAOYSA-N
• XLogP: 3.08
• TPSA: 101.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	460.58
LogP ≤ 5	3.08
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)sulfonyl]-N-pyridin-2-ylpiperidine-4-carboxamide?

The IUPAC name of 1-[(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)sulfonyl]-N-pyridin-2-ylpiperidine-4-carboxamide (CID 53106305) is 1-[(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)sulfonyl]-N-pyridin-2-ylpiperidine-4-carboxamide.

What is the SMILES notation for 1-[(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)sulfonyl]-N-pyridin-2-ylpiperidine-4-carboxamide?

The canonical SMILES for 1-[(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)sulfonyl]-N-pyridin-2-ylpiperidine-4-carboxamide is CC(C)n1c(=O)sc2cc(S(=O)(=O)N3CCC(C(=O)Nc4ccccn4)CC3)ccc21.

What is the InChIKey of 1-[(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)sulfonyl]-N-pyridin-2-ylpiperidine-4-carboxamide?

The InChIKey is WJIOELLPTLZKRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O4S2/c1-14(2)25-17-7-6-16(13-18(17)30-21(25)27)31(28,29)24-11-8-15(9-12-24)20(26)23-19-5-3-4-10-22-19/h3-7,10,13-15H,8-9,11-12H2,1-2H3,(H,22,23,26).

What are the key properties of 1-[(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)sulfonyl]-N-pyridin-2-ylpiperidine-4-carboxamide?

1-[(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)sulfonyl]-N-pyridin-2-ylpiperidine-4-carboxamide has a molecular weight of 460.58 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)sulfonyl]-N-pyridin-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 53106305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).