2-[3-(3,5-difluorophenyl)-1,1,5-trioxo-1,4-thiazinan-4-yl]-N-(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)acetamide

C24H22F2N4O6S — CID 59008723

About 2-[3-(3,5-difluorophenyl)-1,1,5-trioxo-1,4-thiazinan-4-yl]-N-(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)acetamide

2-[3-(3,5-difluorophenyl)-1,1,5-trioxo-1,4-thiazinan-4-yl]-N-(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)acetamide (PubChem CID 59008723) has the molecular formula C24H22F2N4O6S and a molecular weight of 532.53 g/mol. Its IUPAC name is 2-[3-(3,5-difluorophenyl)-1,1,5-trioxo-1,4-thiazinan-4-yl]-N-(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)acetamide.

Molecular Properties

• Compound Name: 2-[3-(3,5-difluorophenyl)-1,1,5-trioxo-1,4-thiazinan-4-yl]-N-(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)acetamide
• PubChem CID: 59008723
• Molecular Formula: C24H22F2N4O6S
• Molecular Weight: 532.53 g/mol
• Exact Mass: 532.12
• IUPAC Name: 2-[3-(3,5-difluorophenyl)-1,1,5-trioxo-1,4-thiazinan-4-yl]-N-(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)acetamide
• SMILES: CN1C(=O)NC(=O)C12Cc1ccc(NC(=O)CN3C(=O)CS(=O)(=O)CC3c3cc(F)cc(F)c3)cc1C2
• InChI: InChI=1S/C24H22F2N4O6S/c1-29-23(34)28-22(33)24(29)8-13-2-3-18(6-15(13)9-24)27-20(31)10-30-19(11-37(35,36)12-21(30)32)14-4-16(25)7-17(26)5-14/h2-7,19H,8-12H2,1H3,(H,27,31)(H,28,33,34)
• InChIKey: CPUCLWAXCHFSNW-UHFFFAOYSA-N
• XLogP: 0.92
• TPSA: 132.96 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	532.53
LogP ≤ 5	0.92
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,5-difluorophenyl)-1,1,5-trioxo-1,4-thiazinan-4-yl]-N-(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)acetamide?

The IUPAC name of 2-[3-(3,5-difluorophenyl)-1,1,5-trioxo-1,4-thiazinan-4-yl]-N-(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)acetamide (CID 59008723) is 2-[3-(3,5-difluorophenyl)-1,1,5-trioxo-1,4-thiazinan-4-yl]-N-(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)acetamide.

What is the SMILES notation for 2-[3-(3,5-difluorophenyl)-1,1,5-trioxo-1,4-thiazinan-4-yl]-N-(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)acetamide?

The canonical SMILES for 2-[3-(3,5-difluorophenyl)-1,1,5-trioxo-1,4-thiazinan-4-yl]-N-(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)acetamide is CN1C(=O)NC(=O)C12Cc1ccc(NC(=O)CN3C(=O)CS(=O)(=O)CC3c3cc(F)cc(F)c3)cc1C2.

What is the InChIKey of 2-[3-(3,5-difluorophenyl)-1,1,5-trioxo-1,4-thiazinan-4-yl]-N-(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)acetamide?

The InChIKey is CPUCLWAXCHFSNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F2N4O6S/c1-29-23(34)28-22(33)24(29)8-13-2-3-18(6-15(13)9-24)27-20(31)10-30-19(11-37(35,36)12-21(30)32)14-4-16(25)7-17(26)5-14/h2-7,19H,8-12H2,1H3,(H,27,31)(H,28,33,34).

What are the key properties of 2-[3-(3,5-difluorophenyl)-1,1,5-trioxo-1,4-thiazinan-4-yl]-N-(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)acetamide?

2-[3-(3,5-difluorophenyl)-1,1,5-trioxo-1,4-thiazinan-4-yl]-N-(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)acetamide has a molecular weight of 532.53 g/mol, XLogP of 0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(3,5-difluorophenyl)-1,1,5-trioxo-1,4-thiazinan-4-yl]-N-(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)acetamide is sourced from PubChem (CID 59008723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).