About N-hydroxy-4-[4-[4-[4-[methyl(propan-2-yl)amino]phenyl]triazol-1-yl]phenyl]sulfonylpiperidine-4-carboxamide
N-hydroxy-4-[4-[4-[4-[methyl(propan-2-yl)amino]phenyl]triazol-1-yl]phenyl]sulfonylpiperidine-4-carboxamide (PubChem CID 118723755) has the molecular formula C24H30N6O4S
and a molecular weight of 498.61 g/mol. Its IUPAC name is N-hydroxy-4-[4-[4-[4-[methyl(propan-2-yl)amino]phenyl]triazol-1-yl]phenyl]sulfonylpiperidine-4-carboxamide.
Molecular Properties
| Compound Name | N-hydroxy-4-[4-[4-[4-[methyl(propan-2-yl)amino]phenyl]triazol-1-yl]phenyl]sulfonylpiperidine-4-carboxamide |
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| PubChem CID | 118723755 |
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| Molecular Formula | C24H30N6O4S |
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| Molecular Weight | 498.61 g/mol |
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| Exact Mass | 498.20 |
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| IUPAC Name | N-hydroxy-4-[4-[4-[4-[methyl(propan-2-yl)amino]phenyl]triazol-1-yl]phenyl]sulfonylpiperidine-4-carboxamide |
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| SMILES | CC(C)N(C)c1ccc(-c2cn(-c3ccc(S(=O)(=O)C4(C(=O)NO)CCNCC4)cc3)nn2)cc1 |
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| InChI | InChI=1S/C24H30N6O4S/c1-17(2)29(3)19-6-4-18(5-7-19)22-16-30(28-26-22)20-8-10-21(11-9-20)35(33,34)24(23(31)27-32)12-14-25-15-13-24/h4-11,16-17,25,32H,12-15H2,1-3H3,(H,27,31) |
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| InChIKey | SKWAAHKOPIVFIC-UHFFFAOYSA-N |
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| XLogP | 2.18 |
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| TPSA | 129.45 Ų |
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| H-Bond Donors | 3 |
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| H-Bond Acceptors | 9 |
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| Rotatable Bonds | 7 |
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| Heavy Atoms | 35 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
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| MW ≤ 500 | 498.61 |
| LogP ≤ 5 | 2.18 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 9 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of N-hydroxy-4-[4-[4-[4-[methyl(propan-2-yl)amino]phenyl]triazol-1-yl]phenyl]sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-hydroxy-4-[4-[4-[4-[methyl(propan-2-yl)amino]phenyl]triazol-1-yl]phenyl]sulfonylpiperidine-4-carboxamide (CID 118723755) is N-hydroxy-4-[4-[4-[4-[methyl(propan-2-yl)amino]phenyl]triazol-1-yl]phenyl]sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-hydroxy-4-[4-[4-[4-[methyl(propan-2-yl)amino]phenyl]triazol-1-yl]phenyl]sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-hydroxy-4-[4-[4-[4-[methyl(propan-2-yl)amino]phenyl]triazol-1-yl]phenyl]sulfonylpiperidine-4-carboxamide is CC(C)N(C)c1ccc(-c2cn(-c3ccc(S(=O)(=O)C4(C(=O)NO)CCNCC4)cc3)nn2)cc1.
What is the InChIKey of N-hydroxy-4-[4-[4-[4-[methyl(propan-2-yl)amino]phenyl]triazol-1-yl]phenyl]sulfonylpiperidine-4-carboxamide?
The InChIKey is SKWAAHKOPIVFIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O4S/c1-17(2)29(3)19-6-4-18(5-7-19)22-16-30(28-26-22)20-8-10-21(11-9-20)35(33,34)24(23(31)27-32)12-14-25-15-13-24/h4-11,16-17,25,32H,12-15H2,1-3H3,(H,27,31).
What are the key properties of N-hydroxy-4-[4-[4-[4-[methyl(propan-2-yl)amino]phenyl]triazol-1-yl]phenyl]sulfonylpiperidine-4-carboxamide?
N-hydroxy-4-[4-[4-[4-[methyl(propan-2-yl)amino]phenyl]triazol-1-yl]phenyl]sulfonylpiperidine-4-carboxamide has a molecular weight of 498.61 g/mol, XLogP of 2.18, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[4-[4-[4-[methyl(propan-2-yl)amino]phenyl]triazol-1-yl]phenyl]sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 118723755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).