N-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)-2-[3-oxo-6-(trifluoromethyl)-1,4-benzothiazin-4-yl]acetamide

C22H17F3N4O4S — CID 25032636

About N-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)-2-[3-oxo-6-(trifluoromethyl)-1,4-benzothiazin-4-yl]acetamide

N-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)-2-[3-oxo-6-(trifluoromethyl)-1,4-benzothiazin-4-yl]acetamide (PubChem CID 25032636) has the molecular formula C22H17F3N4O4S and a molecular weight of 490.46 g/mol. Its IUPAC name is N-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)-2-[3-oxo-6-(trifluoromethyl)-1,4-benzothiazin-4-yl]acetamide.

Molecular Properties

• Compound Name: N-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)-2-[3-oxo-6-(trifluoromethyl)-1,4-benzothiazin-4-yl]acetamide
• PubChem CID: 25032636
• Molecular Formula: C22H17F3N4O4S
• Molecular Weight: 490.46 g/mol
• Exact Mass: 490.09
• IUPAC Name: N-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)-2-[3-oxo-6-(trifluoromethyl)-1,4-benzothiazin-4-yl]acetamide
• SMILES: O=C(CN1C(=O)CSc2ccc(C(F)(F)F)cc21)Nc1ccc2c(c1)CC1(C2)NC(=O)NC1=O
• InChI: InChI=1S/C22H17F3N4O4S/c23-22(24,25)13-2-4-16-15(6-13)29(18(31)10-34-16)9-17(30)26-14-3-1-11-7-21(8-12(11)5-14)19(32)27-20(33)28-21/h1-6H,7-10H2,(H,26,30)(H2,27,28,32,33)
• InChIKey: RWKMXTAWTPDYMO-UHFFFAOYSA-N
• XLogP: 2.46
• TPSA: 107.61 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	490.46
LogP ≤ 5	2.46
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 N-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)-2-[3-oxo-6-(trifluoromethyl)-1,4-benzothiazin-4-yl]acetamide?

The IUPAC name of N-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)-2-[3-oxo-6-(trifluoromethyl)-1,4-benzothiazin-4-yl]acetamide (CID 25032636) is N-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)-2-[3-oxo-6-(trifluoromethyl)-1,4-benzothiazin-4-yl]acetamide.

What is the SMILES notation for N-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)-2-[3-oxo-6-(trifluoromethyl)-1,4-benzothiazin-4-yl]acetamide?

The canonical SMILES for N-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)-2-[3-oxo-6-(trifluoromethyl)-1,4-benzothiazin-4-yl]acetamide is O=C(CN1C(=O)CSc2ccc(C(F)(F)F)cc21)Nc1ccc2c(c1)CC1(C2)NC(=O)NC1=O.

What is the InChIKey of N-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)-2-[3-oxo-6-(trifluoromethyl)-1,4-benzothiazin-4-yl]acetamide?

The InChIKey is RWKMXTAWTPDYMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F3N4O4S/c23-22(24,25)13-2-4-16-15(6-13)29(18(31)10-34-16)9-17(30)26-14-3-1-11-7-21(8-12(11)5-14)19(32)27-20(33)28-21/h1-6H,7-10H2,(H,26,30)(H2,27,28,32,33).

What are the key properties of N-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)-2-[3-oxo-6-(trifluoromethyl)-1,4-benzothiazin-4-yl]acetamide?

N-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)-2-[3-oxo-6-(trifluoromethyl)-1,4-benzothiazin-4-yl]acetamide has a molecular weight of 490.46 g/mol, XLogP of 2.46, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)-2-[3-oxo-6-(trifluoromethyl)-1,4-benzothiazin-4-yl]acetamide is sourced from PubChem (CID 25032636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).