(3R,4R)-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]oxane-3-carboxamide

C23H25N3O6S — CID 11855326

IUPAC(3R,4R)-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]oxane-3-carboxamide
SMILESCc1cc(COc2ccc(S(=O)(=O)N[C@@H]3CCOC[C@@H]3C(=O)NO)cc2)c2ccccc2n1
InChIInChI=1S/C23H25N3O6S/c1-15-12-16(19-4-2-3-5-21(19)24-15)13-32-17-6-8-18(9-7-17)33(29,30)26-22-10-11-31-14-20(22)23(27)25-28/h2-9,12,20,22,26,28H,10-11,13-14H2,1H3,(H,25,27)/t20-,22+/m0/s1
InChIKeyRGOBJMXLMSLVGN-RBBKRZOGSA-N
MW471.54 g/mol
LogP2.31
Rot. Bonds7

About (3R,4R)-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]oxane-3-carboxamide

(3R,4R)-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]oxane-3-carboxamide (PubChem CID 11855326) has the molecular formula C23H25N3O6S and a molecular weight of 471.54 g/mol. Its IUPAC name is (3R,4R)-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]oxane-3-carboxamide.

Molecular Properties

Compound Name(3R,4R)-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]oxane-3-carboxamide
PubChem CID11855326
Molecular FormulaC23H25N3O6S
Molecular Weight471.54 g/mol
Exact Mass471.15
IUPAC Name(3R,4R)-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]oxane-3-carboxamide
SMILESCc1cc(COc2ccc(S(=O)(=O)N[C@@H]3CCOC[C@@H]3C(=O)NO)cc2)c2ccccc2n1
InChIInChI=1S/C23H25N3O6S/c1-15-12-16(19-4-2-3-5-21(19)24-15)13-32-17-6-8-18(9-7-17)33(29,30)26-22-10-11-31-14-20(22)23(27)25-28/h2-9,12,20,22,26,28H,10-11,13-14H2,1H3,(H,25,27)/t20-,22+/m0/s1
InChIKeyRGOBJMXLMSLVGN-RBBKRZOGSA-N
XLogP2.31
TPSA126.85 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.54
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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 (3R,4R)-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]oxane-3-carboxamide?
The IUPAC name of (3R,4R)-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]oxane-3-carboxamide (CID 11855326) is (3R,4R)-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]oxane-3-carboxamide.
What is the SMILES notation for (3R,4R)-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]oxane-3-carboxamide?
The canonical SMILES for (3R,4R)-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]oxane-3-carboxamide is Cc1cc(COc2ccc(S(=O)(=O)N[C@@H]3CCOC[C@@H]3C(=O)NO)cc2)c2ccccc2n1.
What is the InChIKey of (3R,4R)-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]oxane-3-carboxamide?
The InChIKey is RGOBJMXLMSLVGN-RBBKRZOGSA-N. The full InChI is InChI=1S/C23H25N3O6S/c1-15-12-16(19-4-2-3-5-21(19)24-15)13-32-17-6-8-18(9-7-17)33(29,30)26-22-10-11-31-14-20(22)23(27)25-28/h2-9,12,20,22,26,28H,10-11,13-14H2,1H3,(H,25,27)/t20-,22+/m0/s1.
What are the key properties of (3R,4R)-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]oxane-3-carboxamide?
(3R,4R)-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]oxane-3-carboxamide has a molecular weight of 471.54 g/mol, XLogP of 2.31, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]oxane-3-carboxamide is sourced from PubChem (CID 11855326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).