About (2R)-4-[5-fluoro-4-[4-[(4-hydroxycyclohexyl)methoxy]phenyl]-2-oxo-1-pyridinyl]-N-hydroxy-2-methylsulfonylbutanamide
(2R)-4-[5-fluoro-4-[4-[(4-hydroxycyclohexyl)methoxy]phenyl]-2-oxo-1-pyridinyl]-N-hydroxy-2-methylsulfonylbutanamide (PubChem CID 88949153) has the molecular formula C23H29FN2O7S
and a molecular weight of 496.56 g/mol. Its IUPAC name is (2R)-4-[5-fluoro-4-[4-[(4-hydroxycyclohexyl)methoxy]phenyl]-2-oxo-1-pyridinyl]-N-hydroxy-2-methylsulfonylbutanamide.
Molecular Properties
| Compound Name | (2R)-4-[5-fluoro-4-[4-[(4-hydroxycyclohexyl)methoxy]phenyl]-2-oxo-1-pyridinyl]-N-hydroxy-2-methylsulfonylbutanamide |
|---|
| PubChem CID | 88949153 |
|---|
| Molecular Formula | C23H29FN2O7S |
|---|
| Molecular Weight | 496.56 g/mol |
|---|
| Exact Mass | 496.17 |
|---|
| IUPAC Name | (2R)-4-[5-fluoro-4-[4-[(4-hydroxycyclohexyl)methoxy]phenyl]-2-oxo-1-pyridinyl]-N-hydroxy-2-methylsulfonylbutanamide |
|---|
| SMILES | CS(=O)(=O)C(CCn1cc(F)c(-c2ccc(OCC3CCC(O)CC3)cc2)cc1=O)C(=O)NO |
|---|
| InChI | InChI=1S/C23H29FN2O7S/c1-34(31,32)21(23(29)25-30)10-11-26-13-20(24)19(12-22(26)28)16-4-8-18(9-5-16)33-14-15-2-6-17(27)7-3-15/h4-5,8-9,12-13,15,17,21,27,30H,2-3,6-7,10-11,14H2,1H3,(H,25,29) |
|---|
| InChIKey | OXQAZGRBHINODX-UHFFFAOYSA-N |
|---|
| XLogP | 1.89 |
|---|
| TPSA | 134.93 Ų |
|---|
| H-Bond Donors | 3 |
|---|
| H-Bond Acceptors | 8 |
|---|
| Rotatable Bonds | 9 |
|---|
| Heavy Atoms | 34 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 496.56 |
| LogP ≤ 5 | 1.89 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 8 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
|---|
Analyze (2R)-4-[5-fluoro-4-[4-[(4-hydroxycyclohexyl)methoxy]phenyl]-2-oxo-1-pyridinyl]-N-hydroxy-2-methylsulfonylbutanamide with MolForge
Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.
Launch Full Analysis
Frequently Asked Questions
What is the IUPAC name of (2R)-4-[5-fluoro-4-[4-[(4-hydroxycyclohexyl)methoxy]phenyl]-2-oxo-1-pyridinyl]-N-hydroxy-2-methylsulfonylbutanamide?
The IUPAC name of (2R)-4-[5-fluoro-4-[4-[(4-hydroxycyclohexyl)methoxy]phenyl]-2-oxo-1-pyridinyl]-N-hydroxy-2-methylsulfonylbutanamide (CID 88949153) is (2R)-4-[5-fluoro-4-[4-[(4-hydroxycyclohexyl)methoxy]phenyl]-2-oxo-1-pyridinyl]-N-hydroxy-2-methylsulfonylbutanamide.
What is the SMILES notation for (2R)-4-[5-fluoro-4-[4-[(4-hydroxycyclohexyl)methoxy]phenyl]-2-oxo-1-pyridinyl]-N-hydroxy-2-methylsulfonylbutanamide?
The canonical SMILES for (2R)-4-[5-fluoro-4-[4-[(4-hydroxycyclohexyl)methoxy]phenyl]-2-oxo-1-pyridinyl]-N-hydroxy-2-methylsulfonylbutanamide is CS(=O)(=O)C(CCn1cc(F)c(-c2ccc(OCC3CCC(O)CC3)cc2)cc1=O)C(=O)NO.
What is the InChIKey of (2R)-4-[5-fluoro-4-[4-[(4-hydroxycyclohexyl)methoxy]phenyl]-2-oxo-1-pyridinyl]-N-hydroxy-2-methylsulfonylbutanamide?
The InChIKey is OXQAZGRBHINODX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN2O7S/c1-34(31,32)21(23(29)25-30)10-11-26-13-20(24)19(12-22(26)28)16-4-8-18(9-5-16)33-14-15-2-6-17(27)7-3-15/h4-5,8-9,12-13,15,17,21,27,30H,2-3,6-7,10-11,14H2,1H3,(H,25,29).
What are the key properties of (2R)-4-[5-fluoro-4-[4-[(4-hydroxycyclohexyl)methoxy]phenyl]-2-oxo-1-pyridinyl]-N-hydroxy-2-methylsulfonylbutanamide?
(2R)-4-[5-fluoro-4-[4-[(4-hydroxycyclohexyl)methoxy]phenyl]-2-oxo-1-pyridinyl]-N-hydroxy-2-methylsulfonylbutanamide has a molecular weight of 496.56 g/mol, XLogP of 1.89, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[5-fluoro-4-[4-[(4-hydroxycyclohexyl)methoxy]phenyl]-2-oxo-1-pyridinyl]-N-hydroxy-2-methylsulfonylbutanamide is sourced from PubChem (CID 88949153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).