N-(2,3-dimethylphenyl)-2-[3-oxo-6-(piperidine-1-carbonyl)-1,4-benzothiazin-4-yl]acetamide

C24H27N3O3S — CID 50777360

About N-(2,3-dimethylphenyl)-2-[3-oxo-6-(piperidine-1-carbonyl)-1,4-benzothiazin-4-yl]acetamide

N-(2,3-dimethylphenyl)-2-[3-oxo-6-(piperidine-1-carbonyl)-1,4-benzothiazin-4-yl]acetamide (PubChem CID 50777360) has the molecular formula C24H27N3O3S and a molecular weight of 437.57 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-[3-oxo-6-(piperidine-1-carbonyl)-1,4-benzothiazin-4-yl]acetamide.

Molecular Properties

• Compound Name: N-(2,3-dimethylphenyl)-2-[3-oxo-6-(piperidine-1-carbonyl)-1,4-benzothiazin-4-yl]acetamide
• PubChem CID: 50777360
• Molecular Formula: C24H27N3O3S
• Molecular Weight: 437.57 g/mol
• Exact Mass: 437.18
• IUPAC Name: N-(2,3-dimethylphenyl)-2-[3-oxo-6-(piperidine-1-carbonyl)-1,4-benzothiazin-4-yl]acetamide
• SMILES: Cc1cccc(NC(=O)CN2C(=O)CSc3ccc(C(=O)N4CCCCC4)cc32)c1C
• InChI: InChI=1S/C24H27N3O3S/c1-16-7-6-8-19(17(16)2)25-22(28)14-27-20-13-18(9-10-21(20)31-15-23(27)29)24(30)26-11-4-3-5-12-26/h6-10,13H,3-5,11-12,14-15H2,1-2H3,(H,25,28)
• InChIKey: MSKKBQRTIZAVNU-UHFFFAOYSA-N
• XLogP: 4.01
• TPSA: 69.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	437.57
LogP ≤ 5	4.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2-[3-oxo-6-(piperidine-1-carbonyl)-1,4-benzothiazin-4-yl]acetamide?

The IUPAC name of N-(2,3-dimethylphenyl)-2-[3-oxo-6-(piperidine-1-carbonyl)-1,4-benzothiazin-4-yl]acetamide (CID 50777360) is N-(2,3-dimethylphenyl)-2-[3-oxo-6-(piperidine-1-carbonyl)-1,4-benzothiazin-4-yl]acetamide.

What is the SMILES notation for N-(2,3-dimethylphenyl)-2-[3-oxo-6-(piperidine-1-carbonyl)-1,4-benzothiazin-4-yl]acetamide?

The canonical SMILES for N-(2,3-dimethylphenyl)-2-[3-oxo-6-(piperidine-1-carbonyl)-1,4-benzothiazin-4-yl]acetamide is Cc1cccc(NC(=O)CN2C(=O)CSc3ccc(C(=O)N4CCCCC4)cc32)c1C.

What is the InChIKey of N-(2,3-dimethylphenyl)-2-[3-oxo-6-(piperidine-1-carbonyl)-1,4-benzothiazin-4-yl]acetamide?

The InChIKey is MSKKBQRTIZAVNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3S/c1-16-7-6-8-19(17(16)2)25-22(28)14-27-20-13-18(9-10-21(20)31-15-23(27)29)24(30)26-11-4-3-5-12-26/h6-10,13H,3-5,11-12,14-15H2,1-2H3,(H,25,28).

What are the key properties of N-(2,3-dimethylphenyl)-2-[3-oxo-6-(piperidine-1-carbonyl)-1,4-benzothiazin-4-yl]acetamide?

N-(2,3-dimethylphenyl)-2-[3-oxo-6-(piperidine-1-carbonyl)-1,4-benzothiazin-4-yl]acetamide has a molecular weight of 437.57 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,3-dimethylphenyl)-2-[3-oxo-6-(piperidine-1-carbonyl)-1,4-benzothiazin-4-yl]acetamide is sourced from PubChem (CID 50777360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).