About (2R)-4-[5-fluoro-4-(4-fluoro-3-methylphenyl)-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
(2R)-4-[5-fluoro-4-(4-fluoro-3-methylphenyl)-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide (PubChem CID 88880234) has the molecular formula C18H20F2N2O5S
and a molecular weight of 414.43 g/mol. Its IUPAC name is (2R)-4-[5-fluoro-4-(4-fluoro-3-methylphenyl)-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide.
Molecular Properties
| Compound Name | (2R)-4-[5-fluoro-4-(4-fluoro-3-methylphenyl)-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide |
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| PubChem CID | 88880234 |
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| Molecular Formula | C18H20F2N2O5S |
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| Molecular Weight | 414.43 g/mol |
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| Exact Mass | 414.11 |
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| IUPAC Name | (2R)-4-[5-fluoro-4-(4-fluoro-3-methylphenyl)-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide |
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| SMILES | Cc1cc(-c2cc(=O)n(CC[C@](C)(C(=O)NO)S(C)(=O)=O)cc2F)ccc1F |
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| InChI | InChI=1S/C18H20F2N2O5S/c1-11-8-12(4-5-14(11)19)13-9-16(23)22(10-15(13)20)7-6-18(2,17(24)21-25)28(3,26)27/h4-5,8-10,25H,6-7H2,1-3H3,(H,21,24)/t18-/m1/s1 |
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| InChIKey | CNNISRAIKTVRMR-GOSISDBHSA-N |
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| XLogP | 1.80 |
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| TPSA | 105.47 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 6 |
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| Rotatable Bonds | 6 |
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| Heavy Atoms | 28 |
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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 | 414.43 |
| LogP ≤ 5 | 1.80 |
| H-Bond Donors ≤ 5 | 2 |
| 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)-4-[5-fluoro-4-(4-fluoro-3-methylphenyl)-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
The IUPAC name of (2R)-4-[5-fluoro-4-(4-fluoro-3-methylphenyl)-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide (CID 88880234) is (2R)-4-[5-fluoro-4-(4-fluoro-3-methylphenyl)-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide.
What is the SMILES notation for (2R)-4-[5-fluoro-4-(4-fluoro-3-methylphenyl)-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
The canonical SMILES for (2R)-4-[5-fluoro-4-(4-fluoro-3-methylphenyl)-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide is Cc1cc(-c2cc(=O)n(CC[C@](C)(C(=O)NO)S(C)(=O)=O)cc2F)ccc1F.
What is the InChIKey of (2R)-4-[5-fluoro-4-(4-fluoro-3-methylphenyl)-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
The InChIKey is CNNISRAIKTVRMR-GOSISDBHSA-N. The full InChI is InChI=1S/C18H20F2N2O5S/c1-11-8-12(4-5-14(11)19)13-9-16(23)22(10-15(13)20)7-6-18(2,17(24)21-25)28(3,26)27/h4-5,8-10,25H,6-7H2,1-3H3,(H,21,24)/t18-/m1/s1.
What are the key properties of (2R)-4-[5-fluoro-4-(4-fluoro-3-methylphenyl)-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
(2R)-4-[5-fluoro-4-(4-fluoro-3-methylphenyl)-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide has a molecular weight of 414.43 g/mol, XLogP of 1.80, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[5-fluoro-4-(4-fluoro-3-methylphenyl)-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide is sourced from PubChem (CID 88880234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).