5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(3-methylsulfonylphenyl)phenyl]imidazolidine-2,4-dione

C26H23N3O6S — CID 24871753

About 5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(3-methylsulfonylphenyl)phenyl]imidazolidine-2,4-dione

5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(3-methylsulfonylphenyl)phenyl]imidazolidine-2,4-dione (PubChem CID 24871753) has the molecular formula C26H23N3O6S and a molecular weight of 505.55 g/mol. Its IUPAC name is 5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(3-methylsulfonylphenyl)phenyl]imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: 5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(3-methylsulfonylphenyl)phenyl]imidazolidine-2,4-dione
• PubChem CID: 24871753
• Molecular Formula: C26H23N3O6S
• Molecular Weight: 505.55 g/mol
• Exact Mass: 505.13
• IUPAC Name: 5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(3-methylsulfonylphenyl)phenyl]imidazolidine-2,4-dione
• SMILES: COc1ccc2c(c1)C(=O)N(CC1(c3ccc(-c4cccc(S(C)(=O)=O)c4)cc3)NC(=O)NC1=O)C2
• InChI: InChI=1S/C26H23N3O6S/c1-35-20-11-8-18-14-29(23(30)22(18)13-20)15-26(24(31)27-25(32)28-26)19-9-6-16(7-10-19)17-4-3-5-21(12-17)36(2,33)34/h3-13H,14-15H2,1-2H3,(H2,27,28,31,32)
• InChIKey: FUONZAWXDCJXOG-UHFFFAOYSA-N
• XLogP: 2.46
• TPSA: 121.88 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	505.55
LogP ≤ 5	2.46
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(3-methylsulfonylphenyl)phenyl]imidazolidine-2,4-dione?

The IUPAC name of 5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(3-methylsulfonylphenyl)phenyl]imidazolidine-2,4-dione (CID 24871753) is 5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(3-methylsulfonylphenyl)phenyl]imidazolidine-2,4-dione.

What is the SMILES notation for 5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(3-methylsulfonylphenyl)phenyl]imidazolidine-2,4-dione?

The canonical SMILES for 5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(3-methylsulfonylphenyl)phenyl]imidazolidine-2,4-dione is COc1ccc2c(c1)C(=O)N(CC1(c3ccc(-c4cccc(S(C)(=O)=O)c4)cc3)NC(=O)NC1=O)C2.

What is the InChIKey of 5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(3-methylsulfonylphenyl)phenyl]imidazolidine-2,4-dione?

The InChIKey is FUONZAWXDCJXOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O6S/c1-35-20-11-8-18-14-29(23(30)22(18)13-20)15-26(24(31)27-25(32)28-26)19-9-6-16(7-10-19)17-4-3-5-21(12-17)36(2,33)34/h3-13H,14-15H2,1-2H3,(H2,27,28,31,32).

What are the key properties of 5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(3-methylsulfonylphenyl)phenyl]imidazolidine-2,4-dione?

5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(3-methylsulfonylphenyl)phenyl]imidazolidine-2,4-dione has a molecular weight of 505.55 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(3-methylsulfonylphenyl)phenyl]imidazolidine-2,4-dione is sourced from PubChem (CID 24871753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).