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

C22H27N3O6S — CID 41290544

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

N-cyclopentyl-2-[(4S)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide (PubChem CID 41290544) has the molecular formula C22H27N3O6S and a molecular weight of 461.54 g/mol. Its IUPAC name is N-cyclopentyl-2-[(4S)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide.

Molecular Properties

• Compound Name: N-cyclopentyl-2-[(4S)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
• PubChem CID: 41290544
• Molecular Formula: C22H27N3O6S
• Molecular Weight: 461.54 g/mol
• Exact Mass: 461.16
• IUPAC Name: N-cyclopentyl-2-[(4S)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
• SMILES: O=C1N[C@]2(CCOc3ccccc32)C(=O)N1CC(=O)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1
• InChI: InChI=1S/C22H27N3O6S/c26-19(25(15-5-1-2-6-15)16-9-12-32(29,30)14-16)13-24-20(27)22(23-21(24)28)10-11-31-18-8-4-3-7-17(18)22/h3-4,7-8,15-16H,1-2,5-6,9-14H2,(H,23,28)/t16-,22+/m1/s1
• InChIKey: ONOCPCGMASLYNA-ZHRRBRCNSA-N
• XLogP: 1.17
• TPSA: 113.09 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	461.54
LogP ≤ 5	1.17
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 N-cyclopentyl-2-[(4S)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide?

The IUPAC name of N-cyclopentyl-2-[(4S)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide (CID 41290544) is N-cyclopentyl-2-[(4S)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide.

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

The canonical SMILES for N-cyclopentyl-2-[(4S)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide is O=C1N[C@]2(CCOc3ccccc32)C(=O)N1CC(=O)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1.

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

The InChIKey is ONOCPCGMASLYNA-ZHRRBRCNSA-N. The full InChI is InChI=1S/C22H27N3O6S/c26-19(25(15-5-1-2-6-15)16-9-12-32(29,30)14-16)13-24-20(27)22(23-21(24)28)10-11-31-18-8-4-3-7-17(18)22/h3-4,7-8,15-16H,1-2,5-6,9-14H2,(H,23,28)/t16-,22+/m1/s1.

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

N-cyclopentyl-2-[(4S)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide has a molecular weight of 461.54 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopentyl-2-[(4S)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide is sourced from PubChem (CID 41290544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).