N-(2,5-dimethylphenyl)-2-[(4-fluorophenyl)sulfonylamino]oxyacetamide

C16H17FN2O4S — CID 9034202

IUPACN-(2,5-dimethylphenyl)-2-[(4-fluorophenyl)sulfonylamino]oxyacetamide
SMILESCc1ccc(C)c(NC(=O)CONS(=O)(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C16H17FN2O4S/c1-11-3-4-12(2)15(9-11)18-16(20)10-23-19-24(21,22)14-7-5-13(17)6-8-14/h3-9,19H,10H2,1-2H3,(H,18,20)
InChIKeyRJILRDPWTUKCLW-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.29
Rot. Bonds6

About N-(2,5-dimethylphenyl)-2-[(4-fluorophenyl)sulfonylamino]oxyacetamide

N-(2,5-dimethylphenyl)-2-[(4-fluorophenyl)sulfonylamino]oxyacetamide (PubChem CID 9034202) has the molecular formula C16H17FN2O4S and a molecular weight of 352.39 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-2-[(4-fluorophenyl)sulfonylamino]oxyacetamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-2-[(4-fluorophenyl)sulfonylamino]oxyacetamide
PubChem CID9034202
Molecular FormulaC16H17FN2O4S
Molecular Weight352.39 g/mol
Exact Mass352.09
IUPAC NameN-(2,5-dimethylphenyl)-2-[(4-fluorophenyl)sulfonylamino]oxyacetamide
SMILESCc1ccc(C)c(NC(=O)CONS(=O)(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C16H17FN2O4S/c1-11-3-4-12(2)15(9-11)18-16(20)10-23-19-24(21,22)14-7-5-13(17)6-8-14/h3-9,19H,10H2,1-2H3,(H,18,20)
InChIKeyRJILRDPWTUKCLW-UHFFFAOYSA-N
XLogP2.29
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2,5-dimethylphenyl)-3-(4-fluorophenyl)sulfonylpropanamide
CID 8702322
[2-(2,5-dimethylanilino)-2-oxoethyl] 2-(4-fluorophenyl)acetate
CID 7759288
[2-(2,5-dimethylanilino)-2-oxoethyl] 3-[(4-methylphenyl)sulfonylamino]propanoate
CID 7168521
2-[(4-fluorophenyl)sulfonylamino]oxyacetate
CID 2529382
2-(2,5-dimethylphenoxy)-N-(5-fluoro-2-methylphenyl)acetamide
CID 35728477
N-(2,5-dimethylphenyl)-2-[(4-methoxyphenyl)sulfonylamino]acetamide
CID 24640543
N-(2,5-dimethylphenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 8747504
[2-(2,5-dimethylanilino)-2-oxoethyl] 4-(prop-2-enylsulfamoyl)benzoate
CID 7828442
N-(2,5-dimethylphenyl)-3-(4-fluorophenoxy)propanamide
CID 31847881
N-(2,5-dimethylphenyl)-2-(4-methylphenyl)sulfonylacetamide
CID 2966880
N-(2,5-dimethylphenyl)-2-[4-[(4-methoxyphenyl)sulfamoyl]phenoxy]acetamide
CID 4259927
2-[(4-fluorophenyl)sulfonylamino]-N-(2-hydroxy-4-methylphenyl)acetamide
CID 9495477

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-2-[(4-fluorophenyl)sulfonylamino]oxyacetamide?
The IUPAC name of N-(2,5-dimethylphenyl)-2-[(4-fluorophenyl)sulfonylamino]oxyacetamide (CID 9034202) is N-(2,5-dimethylphenyl)-2-[(4-fluorophenyl)sulfonylamino]oxyacetamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-2-[(4-fluorophenyl)sulfonylamino]oxyacetamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-2-[(4-fluorophenyl)sulfonylamino]oxyacetamide is Cc1ccc(C)c(NC(=O)CONS(=O)(=O)c2ccc(F)cc2)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-2-[(4-fluorophenyl)sulfonylamino]oxyacetamide?
The InChIKey is RJILRDPWTUKCLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O4S/c1-11-3-4-12(2)15(9-11)18-16(20)10-23-19-24(21,22)14-7-5-13(17)6-8-14/h3-9,19H,10H2,1-2H3,(H,18,20).
What are the key properties of N-(2,5-dimethylphenyl)-2-[(4-fluorophenyl)sulfonylamino]oxyacetamide?
N-(2,5-dimethylphenyl)-2-[(4-fluorophenyl)sulfonylamino]oxyacetamide has a molecular weight of 352.39 g/mol, XLogP of 2.29, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-2-[(4-fluorophenyl)sulfonylamino]oxyacetamide is sourced from PubChem (CID 9034202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).