2-[(4R)-2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl]-N-(2-phenylethyl)acetamide

C20H21N3O3S — CID 7772461

About 2-[(4R)-2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl]-N-(2-phenylethyl)acetamide

2-[(4R)-2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl]-N-(2-phenylethyl)acetamide (PubChem CID 7772461) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is 2-[(4R)-2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl]-N-(2-phenylethyl)acetamide.

Molecular Properties

• Compound Name: 2-[(4R)-2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl]-N-(2-phenylethyl)acetamide
• PubChem CID: 7772461
• Molecular Formula: C20H21N3O3S
• Molecular Weight: 383.47 g/mol
• Exact Mass: 383.13
• IUPAC Name: 2-[(4R)-2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl]-N-(2-phenylethyl)acetamide
• SMILES: O=C(CN1C(=O)N[C@@]2(CCCc3sccc32)C1=O)NCCc1ccccc1
• InChI: InChI=1S/C20H21N3O3S/c24-17(21-11-8-14-5-2-1-3-6-14)13-23-18(25)20(22-19(23)26)10-4-7-16-15(20)9-12-27-16/h1-3,5-6,9,12H,4,7-8,10-11,13H2,(H,21,24)(H,22,26)/t20-/m1/s1
• InChIKey: UNZZDIMBQHYJBE-HXUWFJFHSA-N
• XLogP: 2.19
• TPSA: 78.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	383.47
LogP ≤ 5	2.19
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl]-N-(2-phenylethyl)acetamide?

The IUPAC name of 2-[(4R)-2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl]-N-(2-phenylethyl)acetamide (CID 7772461) is 2-[(4R)-2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl]-N-(2-phenylethyl)acetamide.

What is the SMILES notation for 2-[(4R)-2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl]-N-(2-phenylethyl)acetamide?

The canonical SMILES for 2-[(4R)-2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl]-N-(2-phenylethyl)acetamide is O=C(CN1C(=O)N[C@@]2(CCCc3sccc32)C1=O)NCCc1ccccc1.

What is the InChIKey of 2-[(4R)-2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl]-N-(2-phenylethyl)acetamide?

The InChIKey is UNZZDIMBQHYJBE-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H21N3O3S/c24-17(21-11-8-14-5-2-1-3-6-14)13-23-18(25)20(22-19(23)26)10-4-7-16-15(20)9-12-27-16/h1-3,5-6,9,12H,4,7-8,10-11,13H2,(H,21,24)(H,22,26)/t20-/m1/s1.

What are the key properties of 2-[(4R)-2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl]-N-(2-phenylethyl)acetamide?

2-[(4R)-2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl]-N-(2-phenylethyl)acetamide has a molecular weight of 383.47 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(4R)-2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 7772461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).