About (2R)-2-(1-benzoylpiperidin-4-yl)-N-hydroxy-2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]acetamide
(2R)-2-(1-benzoylpiperidin-4-yl)-N-hydroxy-2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]acetamide (PubChem CID 177377760) has the molecular formula C27H29N3O6S
and a molecular weight of 523.61 g/mol. Its IUPAC name is (2R)-2-(1-benzoylpiperidin-4-yl)-N-hydroxy-2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]acetamide.
Molecular Properties
| Compound Name | (2R)-2-(1-benzoylpiperidin-4-yl)-N-hydroxy-2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]acetamide |
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| PubChem CID | 177377760 |
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| Molecular Formula | C27H29N3O6S |
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| Molecular Weight | 523.61 g/mol |
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| Exact Mass | 523.18 |
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| IUPAC Name | (2R)-2-(1-benzoylpiperidin-4-yl)-N-hydroxy-2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]acetamide |
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| SMILES | COc1ccc(-c2ccc(S(=O)(=O)N[C@@H](C(=O)NO)C3CCN(C(=O)c4ccccc4)CC3)cc2)cc1 |
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| InChI | InChI=1S/C27H29N3O6S/c1-36-23-11-7-19(8-12-23)20-9-13-24(14-10-20)37(34,35)29-25(26(31)28-33)21-15-17-30(18-16-21)27(32)22-5-3-2-4-6-22/h2-14,21,25,29,33H,15-18H2,1H3,(H,28,31)/t25-/m1/s1 |
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| InChIKey | ITOCNBUUDLLSTD-RUZDIDTESA-N |
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| XLogP | 3.07 |
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| TPSA | 125.04 Ų |
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| H-Bond Donors | 3 |
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| H-Bond Acceptors | 6 |
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| Rotatable Bonds | 8 |
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| Heavy Atoms | 37 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 523.61 |
| LogP ≤ 5 | 3.07 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 6 |
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 (2R)-2-(1-benzoylpiperidin-4-yl)-N-hydroxy-2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]acetamide?
The IUPAC name of (2R)-2-(1-benzoylpiperidin-4-yl)-N-hydroxy-2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]acetamide (CID 177377760) is (2R)-2-(1-benzoylpiperidin-4-yl)-N-hydroxy-2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]acetamide.
What is the SMILES notation for (2R)-2-(1-benzoylpiperidin-4-yl)-N-hydroxy-2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]acetamide?
The canonical SMILES for (2R)-2-(1-benzoylpiperidin-4-yl)-N-hydroxy-2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]acetamide is COc1ccc(-c2ccc(S(=O)(=O)N[C@@H](C(=O)NO)C3CCN(C(=O)c4ccccc4)CC3)cc2)cc1.
What is the InChIKey of (2R)-2-(1-benzoylpiperidin-4-yl)-N-hydroxy-2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]acetamide?
The InChIKey is ITOCNBUUDLLSTD-RUZDIDTESA-N. The full InChI is InChI=1S/C27H29N3O6S/c1-36-23-11-7-19(8-12-23)20-9-13-24(14-10-20)37(34,35)29-25(26(31)28-33)21-15-17-30(18-16-21)27(32)22-5-3-2-4-6-22/h2-14,21,25,29,33H,15-18H2,1H3,(H,28,31)/t25-/m1/s1.
What are the key properties of (2R)-2-(1-benzoylpiperidin-4-yl)-N-hydroxy-2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]acetamide?
(2R)-2-(1-benzoylpiperidin-4-yl)-N-hydroxy-2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]acetamide has a molecular weight of 523.61 g/mol, XLogP of 3.07, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(1-benzoylpiperidin-4-yl)-N-hydroxy-2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]acetamide is sourced from PubChem (CID 177377760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).