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

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

2-[(4S)-2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl]-N-(4-methylcyclohexyl)acetamide (PubChem CID 7771871) has the molecular formula C19H25N3O3S and a molecular weight of 375.49 g/mol. Its IUPAC name is 2-[(4S)-2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl]-N-(4-methylcyclohexyl)acetamide.

Molecular Properties

Compound Name	2-[(4S)-2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl]-N-(4-methylcyclohexyl)acetamide
PubChem CID	7771871
Molecular Formula	C19H25N3O3S
Molecular Weight	375.49 g/mol
Exact Mass	375.16
IUPAC Name	2-[(4S)-2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl]-N-(4-methylcyclohexyl)acetamide
SMILES	CC1CCC(NC(=O)CN2C(=O)N[C@]3(CCCc4sccc43)C2=O)CC1
InChI	InChI=1S/C19H25N3O3S/c1-12-4-6-13(7-5-12)20-16(23)11-22-17(24)19(21-18(22)25)9-2-3-15-14(19)8-10-26-15/h8,10,12-13H,2-7,9,11H2,1H3,(H,20,23)(H,21,25)/t12?,13?,19-/m0/s1
InChIKey	PNZXFRSSNNZPPR-RMTLACHYSA-N
XLogP	2.53
TPSA	78.51 Å²
H-Bond Donors	2
H-Bond Acceptors	4
Rotatable Bonds	3
Heavy Atoms	26
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	375.49
LogP ≤ 5	2.53
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-(4-methylcyclohexyl)acetamide?

The IUPAC name of 2-[(4S)-2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl]-N-(4-methylcyclohexyl)acetamide (CID 7771871) is 2-[(4S)-2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl]-N-(4-methylcyclohexyl)acetamide.

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

The canonical SMILES for 2-[(4S)-2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl]-N-(4-methylcyclohexyl)acetamide is CC1CCC(NC(=O)CN2C(=O)N[C@]3(CCCc4sccc43)C2=O)CC1.

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

The InChIKey is PNZXFRSSNNZPPR-RMTLACHYSA-N. The full InChI is InChI=1S/C19H25N3O3S/c1-12-4-6-13(7-5-12)20-16(23)11-22-17(24)19(21-18(22)25)9-2-3-15-14(19)8-10-26-15/h8,10,12-13H,2-7,9,11H2,1H3,(H,20,23)(H,21,25)/t12?,13?,19-/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-(4-methylcyclohexyl)acetamide?

2-[(4S)-2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl]-N-(4-methylcyclohexyl)acetamide has a molecular weight of 375.49 g/mol, XLogP of 2.53, 3 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-(4-methylcyclohexyl)acetamide is sourced from PubChem (CID 7771871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).