[2-(4-methoxyanilino)-2-oxoethyl] 2-[(4-fluorophenyl)sulfonylamino]oxyacetate

C17H17FN2O7S — CID 7883765

IUPAC[2-(4-methoxyanilino)-2-oxoethyl] 2-[(4-fluorophenyl)sulfonylamino]oxyacetate
SMILESCOc1ccc(NC(=O)COC(=O)CONS(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C17H17FN2O7S/c1-25-14-6-4-13(5-7-14)19-16(21)10-26-17(22)11-27-20-28(23,24)15-8-2-12(18)3-9-15/h2-9,20H,10-11H2,1H3,(H,19,21)
InChIKeyIICAYZMNEIBWPW-UHFFFAOYSA-N
MW412.40 g/mol
LogP1.23
Rot. Bonds9

About [2-(4-methoxyanilino)-2-oxoethyl] 2-[(4-fluorophenyl)sulfonylamino]oxyacetate

[2-(4-methoxyanilino)-2-oxoethyl] 2-[(4-fluorophenyl)sulfonylamino]oxyacetate (PubChem CID 7883765) has the molecular formula C17H17FN2O7S and a molecular weight of 412.40 g/mol. Its IUPAC name is [2-(4-methoxyanilino)-2-oxoethyl] 2-[(4-fluorophenyl)sulfonylamino]oxyacetate.

Molecular Properties

Compound Name[2-(4-methoxyanilino)-2-oxoethyl] 2-[(4-fluorophenyl)sulfonylamino]oxyacetate
PubChem CID7883765
Molecular FormulaC17H17FN2O7S
Molecular Weight412.40 g/mol
Exact Mass412.07
IUPAC Name[2-(4-methoxyanilino)-2-oxoethyl] 2-[(4-fluorophenyl)sulfonylamino]oxyacetate
SMILESCOc1ccc(NC(=O)COC(=O)CONS(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C17H17FN2O7S/c1-25-14-6-4-13(5-7-14)19-16(21)10-26-17(22)11-27-20-28(23,24)15-8-2-12(18)3-9-15/h2-9,20H,10-11H2,1H3,(H,19,21)
InChIKeyIICAYZMNEIBWPW-UHFFFAOYSA-N
XLogP1.23
TPSA120.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.40
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(4-bromophenyl)-2-[(4-fluorophenyl)sulfonylamino]oxyacetamide
CID 9038487
[2-(4-methoxyanilino)-2-oxoethyl] 2-[(4-fluorophenyl)sulfonylamino]benzoate
CID 2553219
3-[(4-fluorophenyl)sulfonylamino]-N-(4-methoxyphenyl)propanamide
CID 17192102
2-[(4-methoxyphenyl)sulfonylamino]oxyacetamide
CID 112673531
4-[(4-fluorophenyl)sulfonylamino]-N-(4-methoxyphenyl)butanamide
CID 9411896
[2-(cyclopentylamino)-2-oxoethyl] 2-[(4-fluorophenyl)sulfonylamino]oxyacetate
CID 7883785
[2-(4-methoxyanilino)-2-oxoethyl] propanoate
CID 7851370
[2-(4-acetamidoanilino)-2-oxoethyl] 2-(4-fluorophenoxy)acetate
CID 7791750
[2-(4-methoxyanilino)-2-oxoethyl] 4-methylsulfonylbenzoate
CID 2670499
[2-oxo-2-(4-sulfamoylanilino)ethyl] 4-methoxybenzoate
CID 2510265
[2-(4-fluoroanilino)-2-oxoethyl] 4-(ethylsulfamoyl)benzoate
CID 7828175
N-(4-fluorophenyl)-4-(4-methoxyphenyl)sulfonylbutanamide
CID 41273900

Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxyanilino)-2-oxoethyl] 2-[(4-fluorophenyl)sulfonylamino]oxyacetate?
The IUPAC name of [2-(4-methoxyanilino)-2-oxoethyl] 2-[(4-fluorophenyl)sulfonylamino]oxyacetate (CID 7883765) is [2-(4-methoxyanilino)-2-oxoethyl] 2-[(4-fluorophenyl)sulfonylamino]oxyacetate.
What is the SMILES notation for [2-(4-methoxyanilino)-2-oxoethyl] 2-[(4-fluorophenyl)sulfonylamino]oxyacetate?
The canonical SMILES for [2-(4-methoxyanilino)-2-oxoethyl] 2-[(4-fluorophenyl)sulfonylamino]oxyacetate is COc1ccc(NC(=O)COC(=O)CONS(=O)(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of [2-(4-methoxyanilino)-2-oxoethyl] 2-[(4-fluorophenyl)sulfonylamino]oxyacetate?
The InChIKey is IICAYZMNEIBWPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O7S/c1-25-14-6-4-13(5-7-14)19-16(21)10-26-17(22)11-27-20-28(23,24)15-8-2-12(18)3-9-15/h2-9,20H,10-11H2,1H3,(H,19,21).
What are the key properties of [2-(4-methoxyanilino)-2-oxoethyl] 2-[(4-fluorophenyl)sulfonylamino]oxyacetate?
[2-(4-methoxyanilino)-2-oxoethyl] 2-[(4-fluorophenyl)sulfonylamino]oxyacetate has a molecular weight of 412.40 g/mol, XLogP of 1.23, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxyanilino)-2-oxoethyl] 2-[(4-fluorophenyl)sulfonylamino]oxyacetate is sourced from PubChem (CID 7883765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).