About (2R)-N-hydroxy-4-[4-[4-[(E)-3-hydroxyprop-1-enyl]phenyl]-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfonylbutanamide
(2R)-N-hydroxy-4-[4-[4-[(E)-3-hydroxyprop-1-enyl]phenyl]-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfonylbutanamide (PubChem CID 130207770) has the molecular formula C20H24N2O6S
and a molecular weight of 420.49 g/mol. Its IUPAC name is (2R)-N-hydroxy-4-[4-[4-[(E)-3-hydroxyprop-1-enyl]phenyl]-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfonylbutanamide.
Molecular Properties
| Compound Name | (2R)-N-hydroxy-4-[4-[4-[(E)-3-hydroxyprop-1-enyl]phenyl]-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfonylbutanamide |
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| PubChem CID | 130207770 |
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| Molecular Formula | C20H24N2O6S |
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| Molecular Weight | 420.49 g/mol |
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| Exact Mass | 420.14 |
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| IUPAC Name | (2R)-N-hydroxy-4-[4-[4-[(E)-3-hydroxyprop-1-enyl]phenyl]-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfonylbutanamide |
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| SMILES | C[C@@](CCn1ccc(-c2ccc(/C=C/CO)cc2)cc1=O)(C(=O)NO)S(C)(=O)=O |
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| InChI | InChI=1S/C20H24N2O6S/c1-20(19(25)21-26,29(2,27)28)10-12-22-11-9-17(14-18(22)24)16-7-5-15(6-8-16)4-3-13-23/h3-9,11,14,23,26H,10,12-13H2,1-2H3,(H,21,25)/b4-3+/t20-/m1/s1 |
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| InChIKey | OXXGKSXEGXIGSR-WUUFJKRQSA-N |
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| XLogP | 1.22 |
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| TPSA | 125.70 Ų |
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| H-Bond Donors | 3 |
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| H-Bond Acceptors | 7 |
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| Rotatable Bonds | 8 |
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| Heavy Atoms | 29 |
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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 | 420.49 |
| LogP ≤ 5 | 1.22 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 7 |
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)-N-hydroxy-4-[4-[4-[(E)-3-hydroxyprop-1-enyl]phenyl]-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfonylbutanamide?
The IUPAC name of (2R)-N-hydroxy-4-[4-[4-[(E)-3-hydroxyprop-1-enyl]phenyl]-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfonylbutanamide (CID 130207770) is (2R)-N-hydroxy-4-[4-[4-[(E)-3-hydroxyprop-1-enyl]phenyl]-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfonylbutanamide.
What is the SMILES notation for (2R)-N-hydroxy-4-[4-[4-[(E)-3-hydroxyprop-1-enyl]phenyl]-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfonylbutanamide?
The canonical SMILES for (2R)-N-hydroxy-4-[4-[4-[(E)-3-hydroxyprop-1-enyl]phenyl]-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfonylbutanamide is C[C@@](CCn1ccc(-c2ccc(/C=C/CO)cc2)cc1=O)(C(=O)NO)S(C)(=O)=O.
What is the InChIKey of (2R)-N-hydroxy-4-[4-[4-[(E)-3-hydroxyprop-1-enyl]phenyl]-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfonylbutanamide?
The InChIKey is OXXGKSXEGXIGSR-WUUFJKRQSA-N. The full InChI is InChI=1S/C20H24N2O6S/c1-20(19(25)21-26,29(2,27)28)10-12-22-11-9-17(14-18(22)24)16-7-5-15(6-8-16)4-3-13-23/h3-9,11,14,23,26H,10,12-13H2,1-2H3,(H,21,25)/b4-3+/t20-/m1/s1.
What are the key properties of (2R)-N-hydroxy-4-[4-[4-[(E)-3-hydroxyprop-1-enyl]phenyl]-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfonylbutanamide?
(2R)-N-hydroxy-4-[4-[4-[(E)-3-hydroxyprop-1-enyl]phenyl]-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfonylbutanamide has a molecular weight of 420.49 g/mol, XLogP of 1.22, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-hydroxy-4-[4-[4-[(E)-3-hydroxyprop-1-enyl]phenyl]-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfonylbutanamide is sourced from PubChem (CID 130207770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).