N-(3-acetylphenyl)-2-[(4S)-2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl]acetamide

About N-(3-acetylphenyl)-2-[(4S)-2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl]acetamide

N-(3-acetylphenyl)-2-[(4S)-2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl]acetamide (PubChem CID 7772043) has the molecular formula C20H19N3O4S and a molecular weight of 397.46 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-[(4S)-2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl]acetamide.

Molecular Properties

Compound Name	N-(3-acetylphenyl)-2-[(4S)-2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl]acetamide
PubChem CID	7772043
Molecular Formula	C20H19N3O4S
Molecular Weight	397.46 g/mol
Exact Mass	397.11
IUPAC Name	N-(3-acetylphenyl)-2-[(4S)-2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl]acetamide
SMILES	CC(=O)c1cccc(NC(=O)CN2C(=O)N[C@]3(CCCc4sccc43)C2=O)c1
InChI	InChI=1S/C20H19N3O4S/c1-12(24)13-4-2-5-14(10-13)21-17(25)11-23-18(26)20(22-19(23)27)8-3-6-16-15(20)7-9-28-16/h2,4-5,7,9-10H,3,6,8,11H2,1H3,(H,21,25)(H,22,27)/t20-/m0/s1
InChIKey	ISNVESNCFHPDSZ-FQEVSTJZSA-N
XLogP	2.67
TPSA	95.58 Å²
H-Bond Donors	2
H-Bond Acceptors	5
Rotatable Bonds	4
Heavy Atoms	28
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	397.46
LogP ≤ 5	2.67
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-[(4S)-2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl]acetamide?

The IUPAC name of N-(3-acetylphenyl)-2-[(4S)-2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl]acetamide (CID 7772043) is N-(3-acetylphenyl)-2-[(4S)-2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl]acetamide.

What is the SMILES notation for N-(3-acetylphenyl)-2-[(4S)-2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl]acetamide?

The canonical SMILES for N-(3-acetylphenyl)-2-[(4S)-2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl]acetamide is CC(=O)c1cccc(NC(=O)CN2C(=O)N[C@]3(CCCc4sccc43)C2=O)c1.

What is the InChIKey of N-(3-acetylphenyl)-2-[(4S)-2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl]acetamide?

The InChIKey is ISNVESNCFHPDSZ-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H19N3O4S/c1-12(24)13-4-2-5-14(10-13)21-17(25)11-23-18(26)20(22-19(23)27)8-3-6-16-15(20)7-9-28-16/h2,4-5,7,9-10H,3,6,8,11H2,1H3,(H,21,25)(H,22,27)/t20-/m0/s1.

What are the key properties of N-(3-acetylphenyl)-2-[(4S)-2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl]acetamide?

N-(3-acetylphenyl)-2-[(4S)-2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl]acetamide has a molecular weight of 397.46 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-acetylphenyl)-2-[(4S)-2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl]acetamide is sourced from PubChem (CID 7772043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).