2-[(4S)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]-N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethylacetamide

C19H23N3O6S — CID 9396802

About 2-[(4S)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]-N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethylacetamide

2-[(4S)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]-N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethylacetamide (PubChem CID 9396802) has the molecular formula C19H23N3O6S and a molecular weight of 421.48 g/mol. Its IUPAC name is 2-[(4S)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]-N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethylacetamide.

Molecular Properties

• Compound Name: 2-[(4S)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]-N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethylacetamide
• PubChem CID: 9396802
• Molecular Formula: C19H23N3O6S
• Molecular Weight: 421.48 g/mol
• Exact Mass: 421.13
• IUPAC Name: 2-[(4S)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]-N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethylacetamide
• SMILES: CCN(C(=O)CN1C(=O)N[C@]2(CCOc3ccccc32)C1=O)[C@H]1CCS(=O)(=O)C1
• InChI: InChI=1S/C19H23N3O6S/c1-2-21(13-7-10-29(26,27)12-13)16(23)11-22-17(24)19(20-18(22)25)8-9-28-15-6-4-3-5-14(15)19/h3-6,13H,2,7-12H2,1H3,(H,20,25)/t13-,19-/m0/s1
• InChIKey: RQGPKYLSLNTHHD-DJJJIMSYSA-N
• XLogP: 0.25
• TPSA: 113.09 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	421.48
LogP ≤ 5	0.25
H-Bond Donors ≤ 5	1
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-[(4S)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]-N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethylacetamide?

The IUPAC name of 2-[(4S)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]-N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethylacetamide (CID 9396802) is 2-[(4S)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]-N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethylacetamide.

What is the SMILES notation for 2-[(4S)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]-N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethylacetamide?

The canonical SMILES for 2-[(4S)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]-N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethylacetamide is CCN(C(=O)CN1C(=O)N[C@]2(CCOc3ccccc32)C1=O)[C@H]1CCS(=O)(=O)C1.

What is the InChIKey of 2-[(4S)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]-N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethylacetamide?

The InChIKey is RQGPKYLSLNTHHD-DJJJIMSYSA-N. The full InChI is InChI=1S/C19H23N3O6S/c1-2-21(13-7-10-29(26,27)12-13)16(23)11-22-17(24)19(20-18(22)25)8-9-28-15-6-4-3-5-14(15)19/h3-6,13H,2,7-12H2,1H3,(H,20,25)/t13-,19-/m0/s1.

What are the key properties of 2-[(4S)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]-N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethylacetamide?

2-[(4S)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]-N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethylacetamide has a molecular weight of 421.48 g/mol, XLogP of 0.25, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(4S)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]-N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethylacetamide is sourced from PubChem (CID 9396802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).