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

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

N-(2-chloro-4-methylphenyl)-2-[(4R)-2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl]acetamide (PubChem CID 7772274) has the molecular formula C19H18ClN3O3S and a molecular weight of 403.89 g/mol. Its IUPAC name is N-(2-chloro-4-methylphenyl)-2-[(4R)-2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl]acetamide.

Molecular Properties

Compound Name	N-(2-chloro-4-methylphenyl)-2-[(4R)-2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl]acetamide
PubChem CID	7772274
Molecular Formula	C19H18ClN3O3S
Molecular Weight	403.89 g/mol
Exact Mass	403.08
IUPAC Name	N-(2-chloro-4-methylphenyl)-2-[(4R)-2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl]acetamide
SMILES	Cc1ccc(NC(=O)CN2C(=O)N[C@@]3(CCCc4sccc43)C2=O)c(Cl)c1
InChI	InChI=1S/C19H18ClN3O3S/c1-11-4-5-14(13(20)9-11)21-16(24)10-23-17(25)19(22-18(23)26)7-2-3-15-12(19)6-8-27-15/h4-6,8-9H,2-3,7,10H2,1H3,(H,21,24)(H,22,26)/t19-/m1/s1
InChIKey	WVIXOYKKRBSXFO-LJQANCHMSA-N
XLogP	3.43
TPSA	78.51 Å²
H-Bond Donors	2
H-Bond Acceptors	4
Rotatable Bonds	3
Heavy Atoms	27
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	403.89
LogP ≤ 5	3.43
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 N-(2-chloro-4-methylphenyl)-2-[(4R)-2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl]acetamide?

The IUPAC name of N-(2-chloro-4-methylphenyl)-2-[(4R)-2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl]acetamide (CID 7772274) is N-(2-chloro-4-methylphenyl)-2-[(4R)-2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl]acetamide.

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

The canonical SMILES for N-(2-chloro-4-methylphenyl)-2-[(4R)-2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl]acetamide is Cc1ccc(NC(=O)CN2C(=O)N[C@@]3(CCCc4sccc43)C2=O)c(Cl)c1.

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

The InChIKey is WVIXOYKKRBSXFO-LJQANCHMSA-N. The full InChI is InChI=1S/C19H18ClN3O3S/c1-11-4-5-14(13(20)9-11)21-16(24)10-23-17(25)19(22-18(23)26)7-2-3-15-12(19)6-8-27-15/h4-6,8-9H,2-3,7,10H2,1H3,(H,21,24)(H,22,26)/t19-/m1/s1.

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

N-(2-chloro-4-methylphenyl)-2-[(4R)-2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl]acetamide has a molecular weight of 403.89 g/mol, XLogP of 3.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-chloro-4-methylphenyl)-2-[(4R)-2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl]acetamide is sourced from PubChem (CID 7772274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).