(4R)-3'-[2-(4-methylphenoxy)ethyl]spiro[6,7-dihydro-5H-1-benzothiophene-4,5'-imidazolidine]-2',4'-dione

C19H20N2O3S — CID 7987669

About (4R)-3'-[2-(4-methylphenoxy)ethyl]spiro[6,7-dihydro-5H-1-benzothiophene-4,5'-imidazolidine]-2',4'-dione

(4R)-3'-[2-(4-methylphenoxy)ethyl]spiro[6,7-dihydro-5H-1-benzothiophene-4,5'-imidazolidine]-2',4'-dione (PubChem CID 7987669) has the molecular formula C19H20N2O3S and a molecular weight of 356.45 g/mol. Its IUPAC name is (4R)-3'-[2-(4-methylphenoxy)ethyl]spiro[6,7-dihydro-5H-1-benzothiophene-4,5'-imidazolidine]-2',4'-dione.

Molecular Properties

• Compound Name: (4R)-3'-[2-(4-methylphenoxy)ethyl]spiro[6,7-dihydro-5H-1-benzothiophene-4,5'-imidazolidine]-2',4'-dione
• PubChem CID: 7987669
• Molecular Formula: C19H20N2O3S
• Molecular Weight: 356.45 g/mol
• Exact Mass: 356.12
• IUPAC Name: (4R)-3'-[2-(4-methylphenoxy)ethyl]spiro[6,7-dihydro-5H-1-benzothiophene-4,5'-imidazolidine]-2',4'-dione
• SMILES: Cc1ccc(OCCN2C(=O)N[C@@]3(CCCc4sccc43)C2=O)cc1
• InChI: InChI=1S/C19H20N2O3S/c1-13-4-6-14(7-5-13)24-11-10-21-17(22)19(20-18(21)23)9-2-3-16-15(19)8-12-25-16/h4-8,12H,2-3,9-11H2,1H3,(H,20,23)/t19-/m1/s1
• InChIKey: RWFCKWYHACBEHS-LJQANCHMSA-N
• XLogP: 3.22
• TPSA: 58.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	356.45
LogP ≤ 5	3.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of (4R)-3'-[2-(4-methylphenoxy)ethyl]spiro[6,7-dihydro-5H-1-benzothiophene-4,5'-imidazolidine]-2',4'-dione (CID 7987669) is (4R)-3'-[2-(4-methylphenoxy)ethyl]spiro[6,7-dihydro-5H-1-benzothiophene-4,5'-imidazolidine]-2',4'-dione.

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

The canonical SMILES for (4R)-3'-[2-(4-methylphenoxy)ethyl]spiro[6,7-dihydro-5H-1-benzothiophene-4,5'-imidazolidine]-2',4'-dione is Cc1ccc(OCCN2C(=O)N[C@@]3(CCCc4sccc43)C2=O)cc1.

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

The InChIKey is RWFCKWYHACBEHS-LJQANCHMSA-N. The full InChI is InChI=1S/C19H20N2O3S/c1-13-4-6-14(7-5-13)24-11-10-21-17(22)19(20-18(21)23)9-2-3-16-15(19)8-12-25-16/h4-8,12H,2-3,9-11H2,1H3,(H,20,23)/t19-/m1/s1.

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

(4R)-3'-[2-(4-methylphenoxy)ethyl]spiro[6,7-dihydro-5H-1-benzothiophene-4,5'-imidazolidine]-2',4'-dione has a molecular weight of 356.45 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-3'-[2-(4-methylphenoxy)ethyl]spiro[6,7-dihydro-5H-1-benzothiophene-4,5'-imidazolidine]-2',4'-dione is sourced from PubChem (CID 7987669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).