2-(2,2-dimethyl-3-oxo-1,4-benzothiazin-4-yl)-N-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)acetamide;molecular hydrogen

C23H26N4O4S — CID 159596995

About 2-(2,2-dimethyl-3-oxo-1,4-benzothiazin-4-yl)-N-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)acetamide;molecular hydrogen

2-(2,2-dimethyl-3-oxo-1,4-benzothiazin-4-yl)-N-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)acetamide;molecular hydrogen (PubChem CID 159596995) has the molecular formula C23H26N4O4S and a molecular weight of 454.55 g/mol. Its IUPAC name is 2-(2,2-dimethyl-3-oxo-1,4-benzothiazin-4-yl)-N-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)acetamide;molecular hydrogen.

Molecular Properties

• Compound Name: 2-(2,2-dimethyl-3-oxo-1,4-benzothiazin-4-yl)-N-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)acetamide;molecular hydrogen
• PubChem CID: 159596995
• Molecular Formula: C23H26N4O4S
• Molecular Weight: 454.55 g/mol
• Exact Mass: 454.17
• IUPAC Name: 2-(2,2-dimethyl-3-oxo-1,4-benzothiazin-4-yl)-N-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)acetamide;molecular hydrogen
• SMILES: CC1(C)Sc2ccccc2N(CC(=O)Nc2ccc3c(c2)CC2(C3)NC(=O)NC2=O)C1=O.[H][H].[H][H]
• InChI: InChI=1S/C23H22N4O4S.2H2/c1-22(2)20(30)27(16-5-3-4-6-17(16)32-22)12-18(28)24-15-8-7-13-10-23(11-14(13)9-15)19(29)25-21(31)26-23;;/h3-9H,10-12H2,1-2H3,(H,24,28)(H2,25,26,29,31);2*1H
• InChIKey: MKZBUUOMUNFJAL-UHFFFAOYSA-N
• XLogP: 2.71
• TPSA: 107.61 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	454.55
LogP ≤ 5	2.71
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydantoin', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethyl-3-oxo-1,4-benzothiazin-4-yl)-N-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)acetamide;molecular hydrogen?

The IUPAC name of 2-(2,2-dimethyl-3-oxo-1,4-benzothiazin-4-yl)-N-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)acetamide;molecular hydrogen (CID 159596995) is 2-(2,2-dimethyl-3-oxo-1,4-benzothiazin-4-yl)-N-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)acetamide;molecular hydrogen.

What is the SMILES notation for 2-(2,2-dimethyl-3-oxo-1,4-benzothiazin-4-yl)-N-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)acetamide;molecular hydrogen?

The canonical SMILES for 2-(2,2-dimethyl-3-oxo-1,4-benzothiazin-4-yl)-N-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)acetamide;molecular hydrogen is CC1(C)Sc2ccccc2N(CC(=O)Nc2ccc3c(c2)CC2(C3)NC(=O)NC2=O)C1=O.[H][H].[H][H].

What is the InChIKey of 2-(2,2-dimethyl-3-oxo-1,4-benzothiazin-4-yl)-N-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)acetamide;molecular hydrogen?

The InChIKey is MKZBUUOMUNFJAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O4S.2H2/c1-22(2)20(30)27(16-5-3-4-6-17(16)32-22)12-18(28)24-15-8-7-13-10-23(11-14(13)9-15)19(29)25-21(31)26-23;;/h3-9H,10-12H2,1-2H3,(H,24,28)(H2,25,26,29,31);2*1H.

What are the key properties of 2-(2,2-dimethyl-3-oxo-1,4-benzothiazin-4-yl)-N-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)acetamide;molecular hydrogen?

2-(2,2-dimethyl-3-oxo-1,4-benzothiazin-4-yl)-N-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)acetamide;molecular hydrogen has a molecular weight of 454.55 g/mol, XLogP of 2.71, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,2-dimethyl-3-oxo-1,4-benzothiazin-4-yl)-N-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)acetamide;molecular hydrogen is sourced from PubChem (CID 159596995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).