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

C24H27N3O8S — CID 20620402

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

4-[4-[3-(2,5-dioxo-3-phenylimidazolidin-1-yl)propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide (PubChem CID 20620402) has the molecular formula C24H27N3O8S and a molecular weight of 517.56 g/mol. Its IUPAC name is 4-[4-[3-(2,5-dioxo-3-phenylimidazolidin-1-yl)propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide.

Molecular Properties

• Compound Name: 4-[4-[3-(2,5-dioxo-3-phenylimidazolidin-1-yl)propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide
• PubChem CID: 20620402
• Molecular Formula: C24H27N3O8S
• Molecular Weight: 517.56 g/mol
• Exact Mass: 517.15
• IUPAC Name: 4-[4-[3-(2,5-dioxo-3-phenylimidazolidin-1-yl)propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide
• SMILES: O=C1CN(c2ccccc2)C(=O)N1CCCOc1ccc(S(=O)(=O)C2(C(=O)NO)CCOCC2)cc1
• InChI: InChI=1S/C24H27N3O8S/c28-21-17-27(18-5-2-1-3-6-18)23(30)26(21)13-4-14-35-19-7-9-20(10-8-19)36(32,33)24(22(29)25-31)11-15-34-16-12-24/h1-3,5-10,31H,4,11-17H2,(H,25,29)
• InChIKey: AIICJTXLNWJSEY-UHFFFAOYSA-N
• XLogP: 1.75
• TPSA: 142.55 Ų
• H-Bond Donors: 2
• 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	1.75
H-Bond Donors ≤ 5	2
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-3-phenylimidazolidin-1-yl)propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide?

The IUPAC name of 4-[4-[3-(2,5-dioxo-3-phenylimidazolidin-1-yl)propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide (CID 20620402) is 4-[4-[3-(2,5-dioxo-3-phenylimidazolidin-1-yl)propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide.

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

The canonical SMILES for 4-[4-[3-(2,5-dioxo-3-phenylimidazolidin-1-yl)propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide is O=C1CN(c2ccccc2)C(=O)N1CCCOc1ccc(S(=O)(=O)C2(C(=O)NO)CCOCC2)cc1.

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

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

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

4-[4-[3-(2,5-dioxo-3-phenylimidazolidin-1-yl)propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide has a molecular weight of 517.56 g/mol, XLogP of 1.75, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[3-(2,5-dioxo-3-phenylimidazolidin-1-yl)propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide is sourced from PubChem (CID 20620402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).