N-(6-methyl-2-pyridinyl)-1-[(2-oxo-3-propyl-1,3-benzothiazol-6-yl)sulfonyl]piperidine-4-carboxamide

C22H26N4O4S2 — CID 53106318

About N-(6-methyl-2-pyridinyl)-1-[(2-oxo-3-propyl-1,3-benzothiazol-6-yl)sulfonyl]piperidine-4-carboxamide

N-(6-methyl-2-pyridinyl)-1-[(2-oxo-3-propyl-1,3-benzothiazol-6-yl)sulfonyl]piperidine-4-carboxamide (PubChem CID 53106318) has the molecular formula C22H26N4O4S2 and a molecular weight of 474.61 g/mol. Its IUPAC name is N-(6-methyl-2-pyridinyl)-1-[(2-oxo-3-propyl-1,3-benzothiazol-6-yl)sulfonyl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: N-(6-methyl-2-pyridinyl)-1-[(2-oxo-3-propyl-1,3-benzothiazol-6-yl)sulfonyl]piperidine-4-carboxamide
• PubChem CID: 53106318
• Molecular Formula: C22H26N4O4S2
• Molecular Weight: 474.61 g/mol
• Exact Mass: 474.14
• IUPAC Name: N-(6-methyl-2-pyridinyl)-1-[(2-oxo-3-propyl-1,3-benzothiazol-6-yl)sulfonyl]piperidine-4-carboxamide
• SMILES: CCCn1c(=O)sc2cc(S(=O)(=O)N3CCC(C(=O)Nc4cccc(C)n4)CC3)ccc21
• InChI: InChI=1S/C22H26N4O4S2/c1-3-11-26-18-8-7-17(14-19(18)31-22(26)28)32(29,30)25-12-9-16(10-13-25)21(27)24-20-6-4-5-15(2)23-20/h4-8,14,16H,3,9-13H2,1-2H3,(H,23,24,27)
• InChIKey: DGWTZZGEEUSFJQ-UHFFFAOYSA-N
• XLogP: 3.22
• TPSA: 101.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	474.61
LogP ≤ 5	3.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-2-pyridinyl)-1-[(2-oxo-3-propyl-1,3-benzothiazol-6-yl)sulfonyl]piperidine-4-carboxamide?

The IUPAC name of N-(6-methyl-2-pyridinyl)-1-[(2-oxo-3-propyl-1,3-benzothiazol-6-yl)sulfonyl]piperidine-4-carboxamide (CID 53106318) is N-(6-methyl-2-pyridinyl)-1-[(2-oxo-3-propyl-1,3-benzothiazol-6-yl)sulfonyl]piperidine-4-carboxamide.

What is the SMILES notation for N-(6-methyl-2-pyridinyl)-1-[(2-oxo-3-propyl-1,3-benzothiazol-6-yl)sulfonyl]piperidine-4-carboxamide?

The canonical SMILES for N-(6-methyl-2-pyridinyl)-1-[(2-oxo-3-propyl-1,3-benzothiazol-6-yl)sulfonyl]piperidine-4-carboxamide is CCCn1c(=O)sc2cc(S(=O)(=O)N3CCC(C(=O)Nc4cccc(C)n4)CC3)ccc21.

What is the InChIKey of N-(6-methyl-2-pyridinyl)-1-[(2-oxo-3-propyl-1,3-benzothiazol-6-yl)sulfonyl]piperidine-4-carboxamide?

The InChIKey is DGWTZZGEEUSFJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O4S2/c1-3-11-26-18-8-7-17(14-19(18)31-22(26)28)32(29,30)25-12-9-16(10-13-25)21(27)24-20-6-4-5-15(2)23-20/h4-8,14,16H,3,9-13H2,1-2H3,(H,23,24,27).

What are the key properties of N-(6-methyl-2-pyridinyl)-1-[(2-oxo-3-propyl-1,3-benzothiazol-6-yl)sulfonyl]piperidine-4-carboxamide?

N-(6-methyl-2-pyridinyl)-1-[(2-oxo-3-propyl-1,3-benzothiazol-6-yl)sulfonyl]piperidine-4-carboxamide has a molecular weight of 474.61 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-methyl-2-pyridinyl)-1-[(2-oxo-3-propyl-1,3-benzothiazol-6-yl)sulfonyl]piperidine-4-carboxamide is sourced from PubChem (CID 53106318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).