N-hydroxy-2-(2-methylpropyl)-N'-[4-[[4-[[(4-propan-2-ylphenyl)sulfonylamino]methyl]triazol-1-yl]methyl]phenyl]propanediamide

C26H34N6O5S — CID 169172068

About N-hydroxy-2-(2-methylpropyl)-N'-[4-[[4-[[(4-propan-2-ylphenyl)sulfonylamino]methyl]triazol-1-yl]methyl]phenyl]propanediamide

N-hydroxy-2-(2-methylpropyl)-N'-[4-[[4-[[(4-propan-2-ylphenyl)sulfonylamino]methyl]triazol-1-yl]methyl]phenyl]propanediamide (PubChem CID 169172068) has the molecular formula C26H34N6O5S and a molecular weight of 542.66 g/mol. Its IUPAC name is N-hydroxy-2-(2-methylpropyl)-N'-[4-[[4-[[(4-propan-2-ylphenyl)sulfonylamino]methyl]triazol-1-yl]methyl]phenyl]propanediamide.

Molecular Properties

• Compound Name: N-hydroxy-2-(2-methylpropyl)-N'-[4-[[4-[[(4-propan-2-ylphenyl)sulfonylamino]methyl]triazol-1-yl]methyl]phenyl]propanediamide
• PubChem CID: 169172068
• Molecular Formula: C26H34N6O5S
• Molecular Weight: 542.66 g/mol
• Exact Mass: 542.23
• IUPAC Name: N-hydroxy-2-(2-methylpropyl)-N'-[4-[[4-[[(4-propan-2-ylphenyl)sulfonylamino]methyl]triazol-1-yl]methyl]phenyl]propanediamide
• SMILES: CC(C)CC(C(=O)NO)C(=O)Nc1ccc(Cn2cc(CNS(=O)(=O)c3ccc(C(C)C)cc3)nn2)cc1
• InChI: InChI=1S/C26H34N6O5S/c1-17(2)13-24(26(34)30-35)25(33)28-21-9-5-19(6-10-21)15-32-16-22(29-31-32)14-27-38(36,37)23-11-7-20(8-12-23)18(3)4/h5-12,16-18,24,27,35H,13-15H2,1-4H3,(H,28,33)(H,30,34)
• InChIKey: SCTKBXLUHPPPEO-UHFFFAOYSA-N
• XLogP: 3.03
• TPSA: 155.31 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 12
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	542.66
LogP ≤ 5	3.03
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'beta-keto/anhydride', '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 N-hydroxy-2-(2-methylpropyl)-N'-[4-[[4-[[(4-propan-2-ylphenyl)sulfonylamino]methyl]triazol-1-yl]methyl]phenyl]propanediamide?

The IUPAC name of N-hydroxy-2-(2-methylpropyl)-N'-[4-[[4-[[(4-propan-2-ylphenyl)sulfonylamino]methyl]triazol-1-yl]methyl]phenyl]propanediamide (CID 169172068) is N-hydroxy-2-(2-methylpropyl)-N'-[4-[[4-[[(4-propan-2-ylphenyl)sulfonylamino]methyl]triazol-1-yl]methyl]phenyl]propanediamide.

What is the SMILES notation for N-hydroxy-2-(2-methylpropyl)-N'-[4-[[4-[[(4-propan-2-ylphenyl)sulfonylamino]methyl]triazol-1-yl]methyl]phenyl]propanediamide?

The canonical SMILES for N-hydroxy-2-(2-methylpropyl)-N'-[4-[[4-[[(4-propan-2-ylphenyl)sulfonylamino]methyl]triazol-1-yl]methyl]phenyl]propanediamide is CC(C)CC(C(=O)NO)C(=O)Nc1ccc(Cn2cc(CNS(=O)(=O)c3ccc(C(C)C)cc3)nn2)cc1.

What is the InChIKey of N-hydroxy-2-(2-methylpropyl)-N'-[4-[[4-[[(4-propan-2-ylphenyl)sulfonylamino]methyl]triazol-1-yl]methyl]phenyl]propanediamide?

The InChIKey is SCTKBXLUHPPPEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N6O5S/c1-17(2)13-24(26(34)30-35)25(33)28-21-9-5-19(6-10-21)15-32-16-22(29-31-32)14-27-38(36,37)23-11-7-20(8-12-23)18(3)4/h5-12,16-18,24,27,35H,13-15H2,1-4H3,(H,28,33)(H,30,34).

What are the key properties of N-hydroxy-2-(2-methylpropyl)-N'-[4-[[4-[[(4-propan-2-ylphenyl)sulfonylamino]methyl]triazol-1-yl]methyl]phenyl]propanediamide?

N-hydroxy-2-(2-methylpropyl)-N'-[4-[[4-[[(4-propan-2-ylphenyl)sulfonylamino]methyl]triazol-1-yl]methyl]phenyl]propanediamide has a molecular weight of 542.66 g/mol, XLogP of 3.03, 12 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-hydroxy-2-(2-methylpropyl)-N'-[4-[[4-[[(4-propan-2-ylphenyl)sulfonylamino]methyl]triazol-1-yl]methyl]phenyl]propanediamide is sourced from PubChem (CID 169172068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).