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

C21H19N7O3S — CID 55584964

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

2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]acetamide (PubChem CID 55584964) has the molecular formula C21H19N7O3S and a molecular weight of 449.50 g/mol. Its IUPAC name is 2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]acetamide.

Molecular Properties

• Compound Name: 2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]acetamide
• PubChem CID: 55584964
• Molecular Formula: C21H19N7O3S
• Molecular Weight: 449.50 g/mol
• Exact Mass: 449.13
• IUPAC Name: 2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]acetamide
• SMILES: CSc1nnnn1-c1cccc(NC(=O)CN2C(=O)NC3(CCc4ccccc43)C2=O)c1
• InChI: InChI=1S/C21H19N7O3S/c1-32-20-24-25-26-28(20)15-7-4-6-14(11-15)22-17(29)12-27-18(30)21(23-19(27)31)10-9-13-5-2-3-8-16(13)21/h2-8,11H,9-10,12H2,1H3,(H,22,29)(H,23,31)
• InChIKey: UXGIIWJKEXCODE-UHFFFAOYSA-N
• XLogP: 1.72
• TPSA: 122.11 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	449.50
LogP ≤ 5	1.72
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]acetamide (CID 55584964) is 2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]acetamide.

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

The canonical SMILES for 2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]acetamide is CSc1nnnn1-c1cccc(NC(=O)CN2C(=O)NC3(CCc4ccccc43)C2=O)c1.

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

The InChIKey is UXGIIWJKEXCODE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N7O3S/c1-32-20-24-25-26-28(20)15-7-4-6-14(11-15)22-17(29)12-27-18(30)21(23-19(27)31)10-9-13-5-2-3-8-16(13)21/h2-8,11H,9-10,12H2,1H3,(H,22,29)(H,23,31).

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

2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]acetamide has a molecular weight of 449.50 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]acetamide is sourced from PubChem (CID 55584964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).