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

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

2-[(4S)-2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl]-N-(2-ethyl-6-methylphenyl)acetamide (PubChem CID 7771796) has the molecular formula C21H23N3O3S and a molecular weight of 397.50 g/mol. Its IUPAC name is 2-[(4S)-2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl]-N-(2-ethyl-6-methylphenyl)acetamide.

Molecular Properties

Compound Name	2-[(4S)-2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl]-N-(2-ethyl-6-methylphenyl)acetamide
PubChem CID	7771796
Molecular Formula	C21H23N3O3S
Molecular Weight	397.50 g/mol
Exact Mass	397.15
IUPAC Name	2-[(4S)-2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl]-N-(2-ethyl-6-methylphenyl)acetamide
SMILES	CCc1cccc(C)c1NC(=O)CN1C(=O)N[C@]2(CCCc3sccc32)C1=O
InChI	InChI=1S/C21H23N3O3S/c1-3-14-7-4-6-13(2)18(14)22-17(25)12-24-19(26)21(23-20(24)27)10-5-8-16-15(21)9-11-28-16/h4,6-7,9,11H,3,5,8,10,12H2,1-2H3,(H,22,25)(H,23,27)/t21-/m0/s1
InChIKey	QQTKHUOXALIDDL-NRFANRHFSA-N
XLogP	3.34
TPSA	78.51 Å²
H-Bond Donors	2
H-Bond Acceptors	4
Rotatable Bonds	4
Heavy Atoms	28
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	397.50
LogP ≤ 5	3.34
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

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

The IUPAC name of 2-[(4S)-2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl]-N-(2-ethyl-6-methylphenyl)acetamide (CID 7771796) is 2-[(4S)-2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl]-N-(2-ethyl-6-methylphenyl)acetamide.

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

The canonical SMILES for 2-[(4S)-2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl]-N-(2-ethyl-6-methylphenyl)acetamide is CCc1cccc(C)c1NC(=O)CN1C(=O)N[C@]2(CCCc3sccc32)C1=O.

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

The InChIKey is QQTKHUOXALIDDL-NRFANRHFSA-N. The full InChI is InChI=1S/C21H23N3O3S/c1-3-14-7-4-6-13(2)18(14)22-17(25)12-24-19(26)21(23-20(24)27)10-5-8-16-15(21)9-11-28-16/h4,6-7,9,11H,3,5,8,10,12H2,1-2H3,(H,22,25)(H,23,27)/t21-/m0/s1.

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

2-[(4S)-2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl]-N-(2-ethyl-6-methylphenyl)acetamide has a molecular weight of 397.50 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(4S)-2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl]-N-(2-ethyl-6-methylphenyl)acetamide is sourced from PubChem (CID 7771796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).