(4S)-3'-[2-(3-methoxyphenyl)-2-oxoethyl]spiro[6,7-dihydro-5H-1-benzothiophene-4,5'-imidazolidine]-2',4'-dione

C19H18N2O4S — CID 41239336

About (4S)-3'-[2-(3-methoxyphenyl)-2-oxoethyl]spiro[6,7-dihydro-5H-1-benzothiophene-4,5'-imidazolidine]-2',4'-dione

(4S)-3'-[2-(3-methoxyphenyl)-2-oxoethyl]spiro[6,7-dihydro-5H-1-benzothiophene-4,5'-imidazolidine]-2',4'-dione (PubChem CID 41239336) has the molecular formula C19H18N2O4S and a molecular weight of 370.43 g/mol. Its IUPAC name is (4S)-3'-[2-(3-methoxyphenyl)-2-oxoethyl]spiro[6,7-dihydro-5H-1-benzothiophene-4,5'-imidazolidine]-2',4'-dione.

Molecular Properties

• Compound Name: (4S)-3'-[2-(3-methoxyphenyl)-2-oxoethyl]spiro[6,7-dihydro-5H-1-benzothiophene-4,5'-imidazolidine]-2',4'-dione
• PubChem CID: 41239336
• Molecular Formula: C19H18N2O4S
• Molecular Weight: 370.43 g/mol
• Exact Mass: 370.10
• IUPAC Name: (4S)-3'-[2-(3-methoxyphenyl)-2-oxoethyl]spiro[6,7-dihydro-5H-1-benzothiophene-4,5'-imidazolidine]-2',4'-dione
• SMILES: COc1cccc(C(=O)CN2C(=O)N[C@]3(CCCc4sccc43)C2=O)c1
• InChI: InChI=1S/C19H18N2O4S/c1-25-13-5-2-4-12(10-13)15(22)11-21-17(23)19(20-18(21)24)8-3-6-16-14(19)7-9-26-16/h2,4-5,7,9-10H,3,6,8,11H2,1H3,(H,20,24)/t19-/m0/s1
• InChIKey: HGLNEHMJELNOPX-IBGZPJMESA-N
• XLogP: 2.72
• TPSA: 75.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	370.43
LogP ≤ 5	2.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (4S)-3'-[2-(3-methoxyphenyl)-2-oxoethyl]spiro[6,7-dihydro-5H-1-benzothiophene-4,5'-imidazolidine]-2',4'-dione?

The IUPAC name of (4S)-3'-[2-(3-methoxyphenyl)-2-oxoethyl]spiro[6,7-dihydro-5H-1-benzothiophene-4,5'-imidazolidine]-2',4'-dione (CID 41239336) is (4S)-3'-[2-(3-methoxyphenyl)-2-oxoethyl]spiro[6,7-dihydro-5H-1-benzothiophene-4,5'-imidazolidine]-2',4'-dione.

What is the SMILES notation for (4S)-3'-[2-(3-methoxyphenyl)-2-oxoethyl]spiro[6,7-dihydro-5H-1-benzothiophene-4,5'-imidazolidine]-2',4'-dione?

The canonical SMILES for (4S)-3'-[2-(3-methoxyphenyl)-2-oxoethyl]spiro[6,7-dihydro-5H-1-benzothiophene-4,5'-imidazolidine]-2',4'-dione is COc1cccc(C(=O)CN2C(=O)N[C@]3(CCCc4sccc43)C2=O)c1.

What is the InChIKey of (4S)-3'-[2-(3-methoxyphenyl)-2-oxoethyl]spiro[6,7-dihydro-5H-1-benzothiophene-4,5'-imidazolidine]-2',4'-dione?

The InChIKey is HGLNEHMJELNOPX-IBGZPJMESA-N. The full InChI is InChI=1S/C19H18N2O4S/c1-25-13-5-2-4-12(10-13)15(22)11-21-17(23)19(20-18(21)24)8-3-6-16-14(19)7-9-26-16/h2,4-5,7,9-10H,3,6,8,11H2,1H3,(H,20,24)/t19-/m0/s1.

What are the key properties of (4S)-3'-[2-(3-methoxyphenyl)-2-oxoethyl]spiro[6,7-dihydro-5H-1-benzothiophene-4,5'-imidazolidine]-2',4'-dione?

(4S)-3'-[2-(3-methoxyphenyl)-2-oxoethyl]spiro[6,7-dihydro-5H-1-benzothiophene-4,5'-imidazolidine]-2',4'-dione has a molecular weight of 370.43 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (4S)-3'-[2-(3-methoxyphenyl)-2-oxoethyl]spiro[6,7-dihydro-5H-1-benzothiophene-4,5'-imidazolidine]-2',4'-dione is sourced from PubChem (CID 41239336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).