2-[(3-butyl-2,5-dioxoimidazolidin-1-yl)methyl]-3-[4-(4-chlorophenyl)phenyl]sulfonyl-N-hydroxypropanamide

C23H26ClN3O6S — CID 23505558

About 2-[(3-butyl-2,5-dioxoimidazolidin-1-yl)methyl]-3-[4-(4-chlorophenyl)phenyl]sulfonyl-N-hydroxypropanamide

2-[(3-butyl-2,5-dioxoimidazolidin-1-yl)methyl]-3-[4-(4-chlorophenyl)phenyl]sulfonyl-N-hydroxypropanamide (PubChem CID 23505558) has the molecular formula C23H26ClN3O6S and a molecular weight of 508.00 g/mol. Its IUPAC name is 2-[(3-butyl-2,5-dioxoimidazolidin-1-yl)methyl]-3-[4-(4-chlorophenyl)phenyl]sulfonyl-N-hydroxypropanamide.

Molecular Properties

• Compound Name: 2-[(3-butyl-2,5-dioxoimidazolidin-1-yl)methyl]-3-[4-(4-chlorophenyl)phenyl]sulfonyl-N-hydroxypropanamide
• PubChem CID: 23505558
• Molecular Formula: C23H26ClN3O6S
• Molecular Weight: 508.00 g/mol
• Exact Mass: 507.12
• IUPAC Name: 2-[(3-butyl-2,5-dioxoimidazolidin-1-yl)methyl]-3-[4-(4-chlorophenyl)phenyl]sulfonyl-N-hydroxypropanamide
• SMILES: CCCCN1CC(=O)N(CC(CS(=O)(=O)c2ccc(-c3ccc(Cl)cc3)cc2)C(=O)NO)C1=O
• InChI: InChI=1S/C23H26ClN3O6S/c1-2-3-12-26-14-21(28)27(23(26)30)13-18(22(29)25-31)15-34(32,33)20-10-6-17(7-11-20)16-4-8-19(24)9-5-16/h4-11,18,31H,2-3,12-15H2,1H3,(H,25,29)
• InChIKey: JAYYNTPKNALULE-UHFFFAOYSA-N
• XLogP: 2.97
• TPSA: 124.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	508.00
LogP ≤ 5	2.97
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'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 2-[(3-butyl-2,5-dioxoimidazolidin-1-yl)methyl]-3-[4-(4-chlorophenyl)phenyl]sulfonyl-N-hydroxypropanamide?

The IUPAC name of 2-[(3-butyl-2,5-dioxoimidazolidin-1-yl)methyl]-3-[4-(4-chlorophenyl)phenyl]sulfonyl-N-hydroxypropanamide (CID 23505558) is 2-[(3-butyl-2,5-dioxoimidazolidin-1-yl)methyl]-3-[4-(4-chlorophenyl)phenyl]sulfonyl-N-hydroxypropanamide.

What is the SMILES notation for 2-[(3-butyl-2,5-dioxoimidazolidin-1-yl)methyl]-3-[4-(4-chlorophenyl)phenyl]sulfonyl-N-hydroxypropanamide?

The canonical SMILES for 2-[(3-butyl-2,5-dioxoimidazolidin-1-yl)methyl]-3-[4-(4-chlorophenyl)phenyl]sulfonyl-N-hydroxypropanamide is CCCCN1CC(=O)N(CC(CS(=O)(=O)c2ccc(-c3ccc(Cl)cc3)cc2)C(=O)NO)C1=O.

What is the InChIKey of 2-[(3-butyl-2,5-dioxoimidazolidin-1-yl)methyl]-3-[4-(4-chlorophenyl)phenyl]sulfonyl-N-hydroxypropanamide?

The InChIKey is JAYYNTPKNALULE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN3O6S/c1-2-3-12-26-14-21(28)27(23(26)30)13-18(22(29)25-31)15-34(32,33)20-10-6-17(7-11-20)16-4-8-19(24)9-5-16/h4-11,18,31H,2-3,12-15H2,1H3,(H,25,29).

What are the key properties of 2-[(3-butyl-2,5-dioxoimidazolidin-1-yl)methyl]-3-[4-(4-chlorophenyl)phenyl]sulfonyl-N-hydroxypropanamide?

2-[(3-butyl-2,5-dioxoimidazolidin-1-yl)methyl]-3-[4-(4-chlorophenyl)phenyl]sulfonyl-N-hydroxypropanamide has a molecular weight of 508.00 g/mol, XLogP of 2.97, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(3-butyl-2,5-dioxoimidazolidin-1-yl)methyl]-3-[4-(4-chlorophenyl)phenyl]sulfonyl-N-hydroxypropanamide is sourced from PubChem (CID 23505558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).