About 2-[1-(cyclopropanecarbonyl)-3-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]azetidin-3-yl]-N-hydroxyacetamide
2-[1-(cyclopropanecarbonyl)-3-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]azetidin-3-yl]-N-hydroxyacetamide (PubChem CID 130273569) has the molecular formula C26H28N4O6S
and a molecular weight of 524.60 g/mol. Its IUPAC name is 2-[1-(cyclopropanecarbonyl)-3-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]azetidin-3-yl]-N-hydroxyacetamide.
Molecular Properties
| Compound Name | 2-[1-(cyclopropanecarbonyl)-3-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]azetidin-3-yl]-N-hydroxyacetamide |
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| PubChem CID | 130273569 |
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| Molecular Formula | C26H28N4O6S |
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| Molecular Weight | 524.60 g/mol |
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| Exact Mass | 524.17 |
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| IUPAC Name | 2-[1-(cyclopropanecarbonyl)-3-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]azetidin-3-yl]-N-hydroxyacetamide |
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| SMILES | Cc1cc(COc2ccc(S(=O)(=O)NC3(CC(=O)NO)CN(C(=O)C4CC4)C3)cc2)c2ccccc2n1 |
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| InChI | InChI=1S/C26H28N4O6S/c1-17-12-19(22-4-2-3-5-23(22)27-17)14-36-20-8-10-21(11-9-20)37(34,35)29-26(13-24(31)28-33)15-30(16-26)25(32)18-6-7-18/h2-5,8-12,18,29,33H,6-7,13-16H2,1H3,(H,28,31) |
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| InChIKey | NTYVQDBYIKOYGB-UHFFFAOYSA-N |
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| XLogP | 2.29 |
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| TPSA | 137.93 Ų |
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| H-Bond Donors | 3 |
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| H-Bond Acceptors | 7 |
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| Rotatable Bonds | 9 |
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| Heavy Atoms | 37 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 524.60 |
| LogP ≤ 5 | 2.29 |
| 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 2-[1-(cyclopropanecarbonyl)-3-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]azetidin-3-yl]-N-hydroxyacetamide?
The IUPAC name of 2-[1-(cyclopropanecarbonyl)-3-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]azetidin-3-yl]-N-hydroxyacetamide (CID 130273569) is 2-[1-(cyclopropanecarbonyl)-3-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]azetidin-3-yl]-N-hydroxyacetamide.
What is the SMILES notation for 2-[1-(cyclopropanecarbonyl)-3-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]azetidin-3-yl]-N-hydroxyacetamide?
The canonical SMILES for 2-[1-(cyclopropanecarbonyl)-3-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]azetidin-3-yl]-N-hydroxyacetamide is Cc1cc(COc2ccc(S(=O)(=O)NC3(CC(=O)NO)CN(C(=O)C4CC4)C3)cc2)c2ccccc2n1.
What is the InChIKey of 2-[1-(cyclopropanecarbonyl)-3-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]azetidin-3-yl]-N-hydroxyacetamide?
The InChIKey is NTYVQDBYIKOYGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O6S/c1-17-12-19(22-4-2-3-5-23(22)27-17)14-36-20-8-10-21(11-9-20)37(34,35)29-26(13-24(31)28-33)15-30(16-26)25(32)18-6-7-18/h2-5,8-12,18,29,33H,6-7,13-16H2,1H3,(H,28,31).
What are the key properties of 2-[1-(cyclopropanecarbonyl)-3-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]azetidin-3-yl]-N-hydroxyacetamide?
2-[1-(cyclopropanecarbonyl)-3-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]azetidin-3-yl]-N-hydroxyacetamide has a molecular weight of 524.60 g/mol, XLogP of 2.29, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclopropanecarbonyl)-3-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]azetidin-3-yl]-N-hydroxyacetamide is sourced from PubChem (CID 130273569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).