N-hydroxy-2-[3-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylmethyl]oxetan-3-yl]acetamide

C23H24N2O6S — CID 10204620

IUPACN-hydroxy-2-[3-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylmethyl]oxetan-3-yl]acetamide
SMILESCc1cc(COc2ccc(S(=O)(=O)CC3(CC(=O)NO)COC3)cc2)c2ccccc2n1
InChIInChI=1S/C23H24N2O6S/c1-16-10-17(20-4-2-3-5-21(20)24-16)12-31-18-6-8-19(9-7-18)32(28,29)15-23(13-30-14-23)11-22(26)25-27/h2-10,27H,11-15H2,1H3,(H,25,26)
InChIKeyJTEXDSSTTHRJGK-UHFFFAOYSA-N
MW456.52 g/mol
LogP2.81
Rot. Bonds8

About N-hydroxy-2-[3-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylmethyl]oxetan-3-yl]acetamide

N-hydroxy-2-[3-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylmethyl]oxetan-3-yl]acetamide (PubChem CID 10204620) has the molecular formula C23H24N2O6S and a molecular weight of 456.52 g/mol. Its IUPAC name is N-hydroxy-2-[3-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylmethyl]oxetan-3-yl]acetamide.

Molecular Properties

Compound NameN-hydroxy-2-[3-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylmethyl]oxetan-3-yl]acetamide
PubChem CID10204620
Molecular FormulaC23H24N2O6S
Molecular Weight456.52 g/mol
Exact Mass456.14
IUPAC NameN-hydroxy-2-[3-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylmethyl]oxetan-3-yl]acetamide
SMILESCc1cc(COc2ccc(S(=O)(=O)CC3(CC(=O)NO)COC3)cc2)c2ccccc2n1
InChIInChI=1S/C23H24N2O6S/c1-16-10-17(20-4-2-3-5-21(20)24-16)12-31-18-6-8-19(9-7-18)32(28,29)15-23(13-30-14-23)11-22(26)25-27/h2-10,27H,11-15H2,1H3,(H,25,26)
InChIKeyJTEXDSSTTHRJGK-UHFFFAOYSA-N
XLogP2.81
TPSA114.82 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.52
LogP ≤ 52.81
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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Related Compounds

alpha-Sulfone piperidine hydroxamate, 11c
CID 11698938
alpha-Sulfone piperidine hydroxamate, 11e
CID 44143478
alpha-Sulfone piperidine hydroxamate, 11g
CID 44143481
N-Hydroxy-2-{2-[4-(2-methyl-quinolin-4-ylmethoxy)-benzenesulfonylmethyl]-pyrrolidin-2-yl}-acetamide
CID 9825920
N-Hydroxy-2-{1-[4-(2-methyl-quinolin-4-ylmethoxy)-benzenesulfonylmethyl]-cyclohexyl}-acetamide
CID 10140776
N-Hydroxy-2-{2-[4-(2-methyl-quinolin-4-ylmethoxy)-benzenesulfonylmethyl]-tetrahydro-furan-2-yl}-acetamide
CID 10183693
N-Hydroxy-2-{4-[4-(2-methyl-quinolin-4-ylmethoxy)-benzenesulfonylmethyl]-tetrahydro-pyran-4-yl}-acetamide
CID 10184579
N-Hydroxy-2-{1-[4-(2-methyl-quinolin-4-ylmethoxy)-benzenesulfonylmethyl]-cyclobutyl}-acetamide
CID 10226116
N-Hydroxy-2-{1-[4-(2-methyl-quinolin-4-ylmethoxy)-benzenesulfonylmethyl]-cyclopentyl}-acetamide
CID 10276821
N-Hydroxy-2-{2-[4-(2-methyl-quinolin-4-ylmethoxy)-benzenesulfonylmethyl]-piperidin-2-yl}-acetamide
CID 10299665
1-acetyl-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]piperidine-3-carboxamide
CID 11663500
(1S,2R)-N-hydroxy-2-[({4-[(2-methylquinolin-4-yl)methoxy]phenyl}sulfonyl)amino]cyclopentanecarboxamide
CID 11854559

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-[3-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylmethyl]oxetan-3-yl]acetamide?
The IUPAC name of N-hydroxy-2-[3-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylmethyl]oxetan-3-yl]acetamide (CID 10204620) is N-hydroxy-2-[3-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylmethyl]oxetan-3-yl]acetamide.
What is the SMILES notation for N-hydroxy-2-[3-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylmethyl]oxetan-3-yl]acetamide?
The canonical SMILES for N-hydroxy-2-[3-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylmethyl]oxetan-3-yl]acetamide is Cc1cc(COc2ccc(S(=O)(=O)CC3(CC(=O)NO)COC3)cc2)c2ccccc2n1.
What is the InChIKey of N-hydroxy-2-[3-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylmethyl]oxetan-3-yl]acetamide?
The InChIKey is JTEXDSSTTHRJGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O6S/c1-16-10-17(20-4-2-3-5-21(20)24-16)12-31-18-6-8-19(9-7-18)32(28,29)15-23(13-30-14-23)11-22(26)25-27/h2-10,27H,11-15H2,1H3,(H,25,26).
What are the key properties of N-hydroxy-2-[3-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylmethyl]oxetan-3-yl]acetamide?
N-hydroxy-2-[3-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylmethyl]oxetan-3-yl]acetamide has a molecular weight of 456.52 g/mol, XLogP of 2.81, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[3-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylmethyl]oxetan-3-yl]acetamide is sourced from PubChem (CID 10204620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).