2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide

C18H21N3O5S — CID 41119092

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

2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide (PubChem CID 41119092) has the molecular formula C18H21N3O5S and a molecular weight of 391.45 g/mol. Its IUPAC name is 2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide.

Molecular Properties

• Compound Name: 2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide
• PubChem CID: 41119092
• Molecular Formula: C18H21N3O5S
• Molecular Weight: 391.45 g/mol
• Exact Mass: 391.12
• IUPAC Name: 2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide
• SMILES: C[C@@]1(NC(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)CCS(=O)(=O)C1
• InChI: InChI=1S/C18H21N3O5S/c1-17(8-9-27(25,26)11-17)19-14(22)10-21-15(23)18(20-16(21)24)7-6-12-4-2-3-5-13(12)18/h2-5H,6-11H2,1H3,(H,19,22)(H,20,24)/t17-,18-/m1/s1
• InChIKey: LKFOEFYYJPCKBY-QZTJIDSGSA-N
• XLogP: 0.07
• TPSA: 112.65 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	391.45
LogP ≤ 5	0.07
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 2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide?

The IUPAC name of 2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide (CID 41119092) is 2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide.

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

The canonical SMILES for 2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide is C[C@@]1(NC(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)CCS(=O)(=O)C1.

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

The InChIKey is LKFOEFYYJPCKBY-QZTJIDSGSA-N. The full InChI is InChI=1S/C18H21N3O5S/c1-17(8-9-27(25,26)11-17)19-14(22)10-21-15(23)18(20-16(21)24)7-6-12-4-2-3-5-13(12)18/h2-5H,6-11H2,1H3,(H,19,22)(H,20,24)/t17-,18-/m1/s1.

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

2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide has a molecular weight of 391.45 g/mol, XLogP of 0.07, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide is sourced from PubChem (CID 41119092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).