N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetamide

C23H26N4O6S — CID 43027998

About N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetamide

N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetamide (PubChem CID 43027998) has the molecular formula C23H26N4O6S and a molecular weight of 486.55 g/mol. Its IUPAC name is N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetamide.

Molecular Properties

• Compound Name: N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetamide
• PubChem CID: 43027998
• Molecular Formula: C23H26N4O6S
• Molecular Weight: 486.55 g/mol
• Exact Mass: 486.16
• IUPAC Name: N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetamide
• SMILES: COc1ccc(NC(=O)CN2C(=O)NC3(CCCc4ccccc43)C2=O)cc1S(=O)(=O)N(C)C
• InChI: InChI=1S/C23H26N4O6S/c1-26(2)34(31,32)19-13-16(10-11-18(19)33-3)24-20(28)14-27-21(29)23(25-22(27)30)12-6-8-15-7-4-5-9-17(15)23/h4-5,7,9-11,13H,6,8,12,14H2,1-3H3,(H,24,28)(H,25,30)
• InChIKey: KTKLRACNWUWORA-UHFFFAOYSA-N
• XLogP: 1.67
• TPSA: 125.12 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	486.55
LogP ≤ 5	1.67
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 N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetamide?

The IUPAC name of N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetamide (CID 43027998) is N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetamide.

What is the SMILES notation for N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetamide?

The canonical SMILES for N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetamide is COc1ccc(NC(=O)CN2C(=O)NC3(CCCc4ccccc43)C2=O)cc1S(=O)(=O)N(C)C.

What is the InChIKey of N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetamide?

The InChIKey is KTKLRACNWUWORA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O6S/c1-26(2)34(31,32)19-13-16(10-11-18(19)33-3)24-20(28)14-27-21(29)23(25-22(27)30)12-6-8-15-7-4-5-9-17(15)23/h4-5,7,9-11,13H,6,8,12,14H2,1-3H3,(H,24,28)(H,25,30).

What are the key properties of N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetamide?

N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetamide has a molecular weight of 486.55 g/mol, XLogP of 1.67, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetamide is sourced from PubChem (CID 43027998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).