About (2R)-N-hydroxy-4-[4-[4-(4-hydroxybutylsulfanyl)phenyl]-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfonylbutanamide
(2R)-N-hydroxy-4-[4-[4-(4-hydroxybutylsulfanyl)phenyl]-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfonylbutanamide (PubChem CID 90116240) has the molecular formula C21H28N2O6S2
and a molecular weight of 468.60 g/mol. Its IUPAC name is (2R)-N-hydroxy-4-[4-[4-(4-hydroxybutylsulfanyl)phenyl]-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfonylbutanamide.
Molecular Properties
| Compound Name | (2R)-N-hydroxy-4-[4-[4-(4-hydroxybutylsulfanyl)phenyl]-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfonylbutanamide |
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| PubChem CID | 90116240 |
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| Molecular Formula | C21H28N2O6S2 |
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| Molecular Weight | 468.60 g/mol |
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| Exact Mass | 468.14 |
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| IUPAC Name | (2R)-N-hydroxy-4-[4-[4-(4-hydroxybutylsulfanyl)phenyl]-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfonylbutanamide |
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| SMILES | C[C@@](CCn1ccc(-c2ccc(SCCCCO)cc2)cc1=O)(C(=O)NO)S(C)(=O)=O |
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| InChI | InChI=1S/C21H28N2O6S2/c1-21(20(26)22-27,31(2,28)29)10-12-23-11-9-17(15-19(23)25)16-5-7-18(8-6-16)30-14-4-3-13-24/h5-9,11,15,24,27H,3-4,10,12-14H2,1-2H3,(H,22,26)/t21-/m1/s1 |
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| InChIKey | IXCLUSWSECJXNH-OAQYLSRUSA-N |
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| XLogP | 2.08 |
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| TPSA | 125.70 Ų |
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| H-Bond Donors | 3 |
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| H-Bond Acceptors | 8 |
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| Rotatable Bonds | 11 |
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| Heavy Atoms | 31 |
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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 | 468.60 |
| LogP ≤ 5 | 2.08 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 8 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(4-hydroxybutylsulfanyl)phenyl]-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfonylbutanamide?
The IUPAC name of (2R)-N-hydroxy-4-[4-[4-(4-hydroxybutylsulfanyl)phenyl]-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfonylbutanamide (CID 90116240) is (2R)-N-hydroxy-4-[4-[4-(4-hydroxybutylsulfanyl)phenyl]-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfonylbutanamide.
What is the SMILES notation for (2R)-N-hydroxy-4-[4-[4-(4-hydroxybutylsulfanyl)phenyl]-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfonylbutanamide?
The canonical SMILES for (2R)-N-hydroxy-4-[4-[4-(4-hydroxybutylsulfanyl)phenyl]-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfonylbutanamide is C[C@@](CCn1ccc(-c2ccc(SCCCCO)cc2)cc1=O)(C(=O)NO)S(C)(=O)=O.
What is the InChIKey of (2R)-N-hydroxy-4-[4-[4-(4-hydroxybutylsulfanyl)phenyl]-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfonylbutanamide?
The InChIKey is IXCLUSWSECJXNH-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H28N2O6S2/c1-21(20(26)22-27,31(2,28)29)10-12-23-11-9-17(15-19(23)25)16-5-7-18(8-6-16)30-14-4-3-13-24/h5-9,11,15,24,27H,3-4,10,12-14H2,1-2H3,(H,22,26)/t21-/m1/s1.
What are the key properties of (2R)-N-hydroxy-4-[4-[4-(4-hydroxybutylsulfanyl)phenyl]-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfonylbutanamide?
(2R)-N-hydroxy-4-[4-[4-(4-hydroxybutylsulfanyl)phenyl]-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfonylbutanamide has a molecular weight of 468.60 g/mol, XLogP of 2.08, 11 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-hydroxy-4-[4-[4-(4-hydroxybutylsulfanyl)phenyl]-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfonylbutanamide is sourced from PubChem (CID 90116240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).