About 2-[(3-butyl-2,4-dioxoimidazolidin-1-yl)methyl]-3-[4-(4-chlorophenyl)phenyl]sulfonyl-N-hydroxypropanamide
2-[(3-butyl-2,4-dioxoimidazolidin-1-yl)methyl]-3-[4-(4-chlorophenyl)phenyl]sulfonyl-N-hydroxypropanamide (PubChem CID 23505545) has the molecular formula C23H26ClN3O6S
and a molecular weight of 508.00 g/mol. Its IUPAC name is 2-[(3-butyl-2,4-dioxoimidazolidin-1-yl)methyl]-3-[4-(4-chlorophenyl)phenyl]sulfonyl-N-hydroxypropanamide.
Molecular Properties
| Compound Name | 2-[(3-butyl-2,4-dioxoimidazolidin-1-yl)methyl]-3-[4-(4-chlorophenyl)phenyl]sulfonyl-N-hydroxypropanamide |
|---|
| PubChem CID | 23505545 |
|---|
| Molecular Formula | C23H26ClN3O6S |
|---|
| Molecular Weight | 508.00 g/mol |
|---|
| Exact Mass | 507.12 |
|---|
| IUPAC Name | 2-[(3-butyl-2,4-dioxoimidazolidin-1-yl)methyl]-3-[4-(4-chlorophenyl)phenyl]sulfonyl-N-hydroxypropanamide |
|---|
| SMILES | CCCCN1C(=O)CN(CC(CS(=O)(=O)c2ccc(-c3ccc(Cl)cc3)cc2)C(=O)NO)C1=O |
|---|
| InChI | InChI=1S/C23H26ClN3O6S/c1-2-3-12-27-21(28)14-26(23(27)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 | BSUCPIUPQNEHPF-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'} |
|---|
Analyze 2-[(3-butyl-2,4-dioxoimidazolidin-1-yl)methyl]-3-[4-(4-chlorophenyl)phenyl]sulfonyl-N-hydroxypropanamide with MolForge
Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.
Launch Full Analysis
Frequently Asked Questions
What is the IUPAC name of 2-[(3-butyl-2,4-dioxoimidazolidin-1-yl)methyl]-3-[4-(4-chlorophenyl)phenyl]sulfonyl-N-hydroxypropanamide?
The IUPAC name of 2-[(3-butyl-2,4-dioxoimidazolidin-1-yl)methyl]-3-[4-(4-chlorophenyl)phenyl]sulfonyl-N-hydroxypropanamide (CID 23505545) is 2-[(3-butyl-2,4-dioxoimidazolidin-1-yl)methyl]-3-[4-(4-chlorophenyl)phenyl]sulfonyl-N-hydroxypropanamide.
What is the SMILES notation for 2-[(3-butyl-2,4-dioxoimidazolidin-1-yl)methyl]-3-[4-(4-chlorophenyl)phenyl]sulfonyl-N-hydroxypropanamide?
The canonical SMILES for 2-[(3-butyl-2,4-dioxoimidazolidin-1-yl)methyl]-3-[4-(4-chlorophenyl)phenyl]sulfonyl-N-hydroxypropanamide is CCCCN1C(=O)CN(CC(CS(=O)(=O)c2ccc(-c3ccc(Cl)cc3)cc2)C(=O)NO)C1=O.
What is the InChIKey of 2-[(3-butyl-2,4-dioxoimidazolidin-1-yl)methyl]-3-[4-(4-chlorophenyl)phenyl]sulfonyl-N-hydroxypropanamide?
The InChIKey is BSUCPIUPQNEHPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN3O6S/c1-2-3-12-27-21(28)14-26(23(27)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-2,4-dioxoimidazolidin-1-yl)methyl]-3-[4-(4-chlorophenyl)phenyl]sulfonyl-N-hydroxypropanamide?
2-[(3-butyl-2,4-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-2,4-dioxoimidazolidin-1-yl)methyl]-3-[4-(4-chlorophenyl)phenyl]sulfonyl-N-hydroxypropanamide is sourced from PubChem (CID 23505545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).