N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide

C24H28N4O5S — CID 4857900

About N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide

N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide (PubChem CID 4857900) has the molecular formula C24H28N4O5S and a molecular weight of 484.58 g/mol. Its IUPAC name is N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide.

Molecular Properties

• Compound Name: N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide
• PubChem CID: 4857900
• Molecular Formula: C24H28N4O5S
• Molecular Weight: 484.58 g/mol
• Exact Mass: 484.18
• IUPAC Name: N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide
• SMILES: CCN(CC)S(=O)(=O)c1cc(NC(=O)CN2C(=O)NC3(CCc4ccccc43)C2=O)ccc1C
• InChI: InChI=1S/C24H28N4O5S/c1-4-27(5-2)34(32,33)20-14-18(11-10-16(20)3)25-21(29)15-28-22(30)24(26-23(28)31)13-12-17-8-6-7-9-19(17)24/h6-11,14H,4-5,12-13,15H2,1-3H3,(H,25,29)(H,26,31)
• InChIKey: XYBVUWDRKFNOJY-UHFFFAOYSA-N
• XLogP: 2.36
• TPSA: 115.89 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	484.58
LogP ≤ 5	2.36
H-Bond Donors ≤ 5	2
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-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide?

The IUPAC name of N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide (CID 4857900) is N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide.

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

The canonical SMILES for N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide is CCN(CC)S(=O)(=O)c1cc(NC(=O)CN2C(=O)NC3(CCc4ccccc43)C2=O)ccc1C.

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

The InChIKey is XYBVUWDRKFNOJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O5S/c1-4-27(5-2)34(32,33)20-14-18(11-10-16(20)3)25-21(29)15-28-22(30)24(26-23(28)31)13-12-17-8-6-7-9-19(17)24/h6-11,14H,4-5,12-13,15H2,1-3H3,(H,25,29)(H,26,31).

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

N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide has a molecular weight of 484.58 g/mol, XLogP of 2.36, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide is sourced from PubChem (CID 4857900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).