About (2R)-2-[[4-(2-fluoroethoxy)phenyl]sulfonyl-[2-[4-[[(4-fluorophenyl)sulfonylamino]methyl]triazol-1-yl]ethyl]amino]-N-hydroxy-3-methylbutanamide
(2R)-2-[[4-(2-fluoroethoxy)phenyl]sulfonyl-[2-[4-[[(4-fluorophenyl)sulfonylamino]methyl]triazol-1-yl]ethyl]amino]-N-hydroxy-3-methylbutanamide (PubChem CID 73293196) has the molecular formula C24H30F2N6O7S2
and a molecular weight of 616.67 g/mol. Its IUPAC name is (2R)-2-[[4-(2-fluoroethoxy)phenyl]sulfonyl-[2-[4-[[(4-fluorophenyl)sulfonylamino]methyl]triazol-1-yl]ethyl]amino]-N-hydroxy-3-methylbutanamide.
Molecular Properties
| Compound Name | (2R)-2-[[4-(2-fluoroethoxy)phenyl]sulfonyl-[2-[4-[[(4-fluorophenyl)sulfonylamino]methyl]triazol-1-yl]ethyl]amino]-N-hydroxy-3-methylbutanamide |
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| PubChem CID | 73293196 |
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| Molecular Formula | C24H30F2N6O7S2 |
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| Molecular Weight | 616.67 g/mol |
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| Exact Mass | 616.16 |
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| IUPAC Name | (2R)-2-[[4-(2-fluoroethoxy)phenyl]sulfonyl-[2-[4-[[(4-fluorophenyl)sulfonylamino]methyl]triazol-1-yl]ethyl]amino]-N-hydroxy-3-methylbutanamide |
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| SMILES | CC(C)[C@H](C(=O)NO)N(CCn1cc(CNS(=O)(=O)c2ccc(F)cc2)nn1)S(=O)(=O)c1ccc(OCCF)cc1 |
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| InChI | InChI=1S/C24H30F2N6O7S2/c1-17(2)23(24(33)29-34)32(41(37,38)22-9-5-20(6-10-22)39-14-11-25)13-12-31-16-19(28-30-31)15-27-40(35,36)21-7-3-18(26)4-8-21/h3-10,16-17,23,27,34H,11-15H2,1-2H3,(H,29,33)/t23-/m1/s1 |
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| InChIKey | CMKYCYOBCXIZPF-HSZRJFAPSA-N |
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| XLogP | 1.46 |
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| TPSA | 172.82 Ų |
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| H-Bond Donors | 3 |
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| H-Bond Acceptors | 10 |
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| Rotatable Bonds | 15 |
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| Heavy Atoms | 41 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 616.67 |
| LogP ≤ 5 | 1.46 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 10 |
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-[[4-(2-fluoroethoxy)phenyl]sulfonyl-[2-[4-[[(4-fluorophenyl)sulfonylamino]methyl]triazol-1-yl]ethyl]amino]-N-hydroxy-3-methylbutanamide?
The IUPAC name of (2R)-2-[[4-(2-fluoroethoxy)phenyl]sulfonyl-[2-[4-[[(4-fluorophenyl)sulfonylamino]methyl]triazol-1-yl]ethyl]amino]-N-hydroxy-3-methylbutanamide (CID 73293196) is (2R)-2-[[4-(2-fluoroethoxy)phenyl]sulfonyl-[2-[4-[[(4-fluorophenyl)sulfonylamino]methyl]triazol-1-yl]ethyl]amino]-N-hydroxy-3-methylbutanamide.
What is the SMILES notation for (2R)-2-[[4-(2-fluoroethoxy)phenyl]sulfonyl-[2-[4-[[(4-fluorophenyl)sulfonylamino]methyl]triazol-1-yl]ethyl]amino]-N-hydroxy-3-methylbutanamide?
The canonical SMILES for (2R)-2-[[4-(2-fluoroethoxy)phenyl]sulfonyl-[2-[4-[[(4-fluorophenyl)sulfonylamino]methyl]triazol-1-yl]ethyl]amino]-N-hydroxy-3-methylbutanamide is CC(C)[C@H](C(=O)NO)N(CCn1cc(CNS(=O)(=O)c2ccc(F)cc2)nn1)S(=O)(=O)c1ccc(OCCF)cc1.
What is the InChIKey of (2R)-2-[[4-(2-fluoroethoxy)phenyl]sulfonyl-[2-[4-[[(4-fluorophenyl)sulfonylamino]methyl]triazol-1-yl]ethyl]amino]-N-hydroxy-3-methylbutanamide?
The InChIKey is CMKYCYOBCXIZPF-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H30F2N6O7S2/c1-17(2)23(24(33)29-34)32(41(37,38)22-9-5-20(6-10-22)39-14-11-25)13-12-31-16-19(28-30-31)15-27-40(35,36)21-7-3-18(26)4-8-21/h3-10,16-17,23,27,34H,11-15H2,1-2H3,(H,29,33)/t23-/m1/s1.
What are the key properties of (2R)-2-[[4-(2-fluoroethoxy)phenyl]sulfonyl-[2-[4-[[(4-fluorophenyl)sulfonylamino]methyl]triazol-1-yl]ethyl]amino]-N-hydroxy-3-methylbutanamide?
(2R)-2-[[4-(2-fluoroethoxy)phenyl]sulfonyl-[2-[4-[[(4-fluorophenyl)sulfonylamino]methyl]triazol-1-yl]ethyl]amino]-N-hydroxy-3-methylbutanamide has a molecular weight of 616.67 g/mol, XLogP of 1.46, 15 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[4-(2-fluoroethoxy)phenyl]sulfonyl-[2-[4-[[(4-fluorophenyl)sulfonylamino]methyl]triazol-1-yl]ethyl]amino]-N-hydroxy-3-methylbutanamide is sourced from PubChem (CID 73293196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).