4-[4-[3-(2,5-dioxo-4-phenylimidazolidin-1-yl)propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide

C24H27N3O8S — CID 20620403

About 4-[4-[3-(2,5-dioxo-4-phenylimidazolidin-1-yl)propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide

4-[4-[3-(2,5-dioxo-4-phenylimidazolidin-1-yl)propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide (PubChem CID 20620403) has the molecular formula C24H27N3O8S and a molecular weight of 517.56 g/mol. Its IUPAC name is 4-[4-[3-(2,5-dioxo-4-phenylimidazolidin-1-yl)propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide.

Molecular Properties

• Compound Name: 4-[4-[3-(2,5-dioxo-4-phenylimidazolidin-1-yl)propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide
• PubChem CID: 20620403
• Molecular Formula: C24H27N3O8S
• Molecular Weight: 517.56 g/mol
• Exact Mass: 517.15
• IUPAC Name: 4-[4-[3-(2,5-dioxo-4-phenylimidazolidin-1-yl)propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide
• SMILES: O=C1NC(c2ccccc2)C(=O)N1CCCOc1ccc(S(=O)(=O)C2(C(=O)NO)CCOCC2)cc1
• InChI: InChI=1S/C24H27N3O8S/c28-21-20(17-5-2-1-3-6-17)25-23(30)27(21)13-4-14-35-18-7-9-19(10-8-18)36(32,33)24(22(29)26-31)11-15-34-16-12-24/h1-3,5-10,20,31H,4,11-16H2,(H,25,30)(H,26,29)
• InChIKey: BHJVCHJAJDXLIF-UHFFFAOYSA-N
• XLogP: 1.58
• TPSA: 151.34 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	517.56
LogP ≤ 5	1.58
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-(2,5-dioxo-4-phenylimidazolidin-1-yl)propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide?

The IUPAC name of 4-[4-[3-(2,5-dioxo-4-phenylimidazolidin-1-yl)propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide (CID 20620403) is 4-[4-[3-(2,5-dioxo-4-phenylimidazolidin-1-yl)propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide.

What is the SMILES notation for 4-[4-[3-(2,5-dioxo-4-phenylimidazolidin-1-yl)propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide?

The canonical SMILES for 4-[4-[3-(2,5-dioxo-4-phenylimidazolidin-1-yl)propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide is O=C1NC(c2ccccc2)C(=O)N1CCCOc1ccc(S(=O)(=O)C2(C(=O)NO)CCOCC2)cc1.

What is the InChIKey of 4-[4-[3-(2,5-dioxo-4-phenylimidazolidin-1-yl)propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide?

The InChIKey is BHJVCHJAJDXLIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O8S/c28-21-20(17-5-2-1-3-6-17)25-23(30)27(21)13-4-14-35-18-7-9-19(10-8-18)36(32,33)24(22(29)26-31)11-15-34-16-12-24/h1-3,5-10,20,31H,4,11-16H2,(H,25,30)(H,26,29).

What are the key properties of 4-[4-[3-(2,5-dioxo-4-phenylimidazolidin-1-yl)propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide?

4-[4-[3-(2,5-dioxo-4-phenylimidazolidin-1-yl)propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide has a molecular weight of 517.56 g/mol, XLogP of 1.58, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[3-(2,5-dioxo-4-phenylimidazolidin-1-yl)propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide is sourced from PubChem (CID 20620403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).