About N-[4-[2-(hydroxyamino)-2-oxoethyl]-1-methylsulfonylpiperidin-4-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide
N-[4-[2-(hydroxyamino)-2-oxoethyl]-1-methylsulfonylpiperidin-4-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide (PubChem CID 10143028) has the molecular formula C26H30N4O6S
and a molecular weight of 526.62 g/mol. Its IUPAC name is N-[4-[2-(hydroxyamino)-2-oxoethyl]-1-methylsulfonylpiperidin-4-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide.
Molecular Properties
| Compound Name | N-[4-[2-(hydroxyamino)-2-oxoethyl]-1-methylsulfonylpiperidin-4-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide |
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| PubChem CID | 10143028 |
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| Molecular Formula | C26H30N4O6S |
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| Molecular Weight | 526.62 g/mol |
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| Exact Mass | 526.19 |
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| IUPAC Name | N-[4-[2-(hydroxyamino)-2-oxoethyl]-1-methylsulfonylpiperidin-4-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide |
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| SMILES | Cc1cc(COc2ccc(C(=O)NC3(CC(=O)NO)CCN(S(C)(=O)=O)CC3)cc2)c2ccccc2n1 |
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| InChI | InChI=1S/C26H30N4O6S/c1-18-15-20(22-5-3-4-6-23(22)27-18)17-36-21-9-7-19(8-10-21)25(32)28-26(16-24(31)29-33)11-13-30(14-12-26)37(2,34)35/h3-10,15,33H,11-14,16-17H2,1-2H3,(H,28,32)(H,29,31) |
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| InChIKey | DJBJEUJDVZJUDS-UHFFFAOYSA-N |
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| XLogP | 2.54 |
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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 | 8 |
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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 | 526.62 |
| LogP ≤ 5 | 2.54 |
| 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 N-[4-[2-(hydroxyamino)-2-oxoethyl]-1-methylsulfonylpiperidin-4-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide?
The IUPAC name of N-[4-[2-(hydroxyamino)-2-oxoethyl]-1-methylsulfonylpiperidin-4-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide (CID 10143028) is N-[4-[2-(hydroxyamino)-2-oxoethyl]-1-methylsulfonylpiperidin-4-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide.
What is the SMILES notation for N-[4-[2-(hydroxyamino)-2-oxoethyl]-1-methylsulfonylpiperidin-4-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide?
The canonical SMILES for N-[4-[2-(hydroxyamino)-2-oxoethyl]-1-methylsulfonylpiperidin-4-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide is Cc1cc(COc2ccc(C(=O)NC3(CC(=O)NO)CCN(S(C)(=O)=O)CC3)cc2)c2ccccc2n1.
What is the InChIKey of N-[4-[2-(hydroxyamino)-2-oxoethyl]-1-methylsulfonylpiperidin-4-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide?
The InChIKey is DJBJEUJDVZJUDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O6S/c1-18-15-20(22-5-3-4-6-23(22)27-18)17-36-21-9-7-19(8-10-21)25(32)28-26(16-24(31)29-33)11-13-30(14-12-26)37(2,34)35/h3-10,15,33H,11-14,16-17H2,1-2H3,(H,28,32)(H,29,31).
What are the key properties of N-[4-[2-(hydroxyamino)-2-oxoethyl]-1-methylsulfonylpiperidin-4-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide?
N-[4-[2-(hydroxyamino)-2-oxoethyl]-1-methylsulfonylpiperidin-4-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide has a molecular weight of 526.62 g/mol, XLogP of 2.54, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(hydroxyamino)-2-oxoethyl]-1-methylsulfonylpiperidin-4-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide is sourced from PubChem (CID 10143028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).