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

C24H27N3O6S — CID 11855327

IUPAC(3R,4R)-N-hydroxy-4-[methyl-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]oxane-3-carboxamide
SMILESCc1cc(COc2ccc(S(=O)(=O)N(C)[C@@H]3CCOC[C@@H]3C(=O)NO)cc2)c2ccccc2n1
InChIInChI=1S/C24H27N3O6S/c1-16-13-17(20-5-3-4-6-22(20)25-16)14-33-18-7-9-19(10-8-18)34(30,31)27(2)23-11-12-32-15-21(23)24(28)26-29/h3-10,13,21,23,29H,11-12,14-15H2,1-2H3,(H,26,28)/t21-,23+/m0/s1
InChIKeyKETRHRZHPRKGQX-JTHBVZDNSA-N
MW485.56 g/mol
LogP2.65
Rot. Bonds7

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

(3R,4R)-N-hydroxy-4-[methyl-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]oxane-3-carboxamide (PubChem CID 11855327) has the molecular formula C24H27N3O6S and a molecular weight of 485.56 g/mol. Its IUPAC name is (3R,4R)-N-hydroxy-4-[methyl-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]oxane-3-carboxamide.

Molecular Properties

Compound Name(3R,4R)-N-hydroxy-4-[methyl-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]oxane-3-carboxamide
PubChem CID11855327
Molecular FormulaC24H27N3O6S
Molecular Weight485.56 g/mol
Exact Mass485.16
IUPAC Name(3R,4R)-N-hydroxy-4-[methyl-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]oxane-3-carboxamide
SMILESCc1cc(COc2ccc(S(=O)(=O)N(C)[C@@H]3CCOC[C@@H]3C(=O)NO)cc2)c2ccccc2n1
InChIInChI=1S/C24H27N3O6S/c1-16-13-17(20-5-3-4-6-22(20)25-16)14-33-18-7-9-19(10-8-18)34(30,31)27(2)23-11-12-32-15-21(23)24(28)26-29/h3-10,13,21,23,29H,11-12,14-15H2,1-2H3,(H,26,28)/t21-,23+/m0/s1
InChIKeyKETRHRZHPRKGQX-JTHBVZDNSA-N
XLogP2.65
TPSA118.06 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.56
LogP ≤ 52.65
H-Bond Donors ≤ 52
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-[methyl-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]oxane-3-carboxamide?
The IUPAC name of (3R,4R)-N-hydroxy-4-[methyl-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]oxane-3-carboxamide (CID 11855327) is (3R,4R)-N-hydroxy-4-[methyl-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]oxane-3-carboxamide.
What is the SMILES notation for (3R,4R)-N-hydroxy-4-[methyl-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]oxane-3-carboxamide?
The canonical SMILES for (3R,4R)-N-hydroxy-4-[methyl-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]oxane-3-carboxamide is Cc1cc(COc2ccc(S(=O)(=O)N(C)[C@@H]3CCOC[C@@H]3C(=O)NO)cc2)c2ccccc2n1.
What is the InChIKey of (3R,4R)-N-hydroxy-4-[methyl-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]oxane-3-carboxamide?
The InChIKey is KETRHRZHPRKGQX-JTHBVZDNSA-N. The full InChI is InChI=1S/C24H27N3O6S/c1-16-13-17(20-5-3-4-6-22(20)25-16)14-33-18-7-9-19(10-8-18)34(30,31)27(2)23-11-12-32-15-21(23)24(28)26-29/h3-10,13,21,23,29H,11-12,14-15H2,1-2H3,(H,26,28)/t21-,23+/m0/s1.
What are the key properties of (3R,4R)-N-hydroxy-4-[methyl-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]oxane-3-carboxamide?
(3R,4R)-N-hydroxy-4-[methyl-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]oxane-3-carboxamide has a molecular weight of 485.56 g/mol, XLogP of 2.65, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-N-hydroxy-4-[methyl-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]oxane-3-carboxamide is sourced from PubChem (CID 11855327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).