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

C22H19FN2O6S — CID 2553219

IUPAC[2-(4-methoxyanilino)-2-oxoethyl] 2-[(4-fluorophenyl)sulfonylamino]benzoate
SMILESCOc1ccc(NC(=O)COC(=O)c2ccccc2NS(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C22H19FN2O6S/c1-30-17-10-8-16(9-11-17)24-21(26)14-31-22(27)19-4-2-3-5-20(19)25-32(28,29)18-12-6-15(23)7-13-18/h2-13,25H,14H2,1H3,(H,24,26)
InChIKeySIYQFYOOVUVWIA-UHFFFAOYSA-N
MW458.47 g/mol
LogP3.43
Rot. Bonds8

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

[2-(4-methoxyanilino)-2-oxoethyl] 2-[(4-fluorophenyl)sulfonylamino]benzoate (PubChem CID 2553219) has the molecular formula C22H19FN2O6S and a molecular weight of 458.47 g/mol. Its IUPAC name is [2-(4-methoxyanilino)-2-oxoethyl] 2-[(4-fluorophenyl)sulfonylamino]benzoate.

Molecular Properties

Compound Name[2-(4-methoxyanilino)-2-oxoethyl] 2-[(4-fluorophenyl)sulfonylamino]benzoate
PubChem CID2553219
Molecular FormulaC22H19FN2O6S
Molecular Weight458.47 g/mol
Exact Mass458.09
IUPAC Name[2-(4-methoxyanilino)-2-oxoethyl] 2-[(4-fluorophenyl)sulfonylamino]benzoate
SMILESCOc1ccc(NC(=O)COC(=O)c2ccccc2NS(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C22H19FN2O6S/c1-30-17-10-8-16(9-11-17)24-21(26)14-31-22(27)19-4-2-3-5-20(19)25-32(28,29)18-12-6-15(23)7-13-18/h2-13,25H,14H2,1H3,(H,24,26)
InChIKeySIYQFYOOVUVWIA-UHFFFAOYSA-N
XLogP3.43
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.47
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl] 2-[(4-methoxyphenyl)sulfonylamino]benzoate
CID 55468355
2-O-[2-(4-methoxyanilino)-2-oxoethyl] 1-O-methyl benzene-1,2-dicarboxylate
CID 56505239
2-(benzenesulfonamido)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 126414109
[2-(4-methoxyanilino)-2-oxoethyl] 2-[(4-fluorophenyl)sulfonylamino]oxyacetate
CID 7883765
[2-(4-methoxyanilino)-2-oxoethyl] 2-fluoro-5-(methylsulfamoyl)benzoate
CID 18085306
N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-2-phenoxyacetamide
CID 2451011
[2-(4-methoxyanilino)-2-oxoethyl] 2-methylsulfanylbenzoate
CID 2540210
[2-(4-methoxyanilino)-2-oxoethyl] 2,5-difluorobenzoate
CID 46925007
(2-oxo-2-piperidin-1-ylethyl) 2-[(4-fluorophenyl)sulfonylamino]benzoate
CID 2553372
2-[4-[(4-fluorophenyl)sulfamoyl]phenoxy]-N-(2-methylphenyl)acetamide
CID 2228508
methyl 2-[[4-[[2-(4-ethoxyphenyl)acetyl]amino]phenyl]sulfonylamino]benzoate
CID 68579485
[2-(2-methoxyanilino)-2-oxoethyl] 2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoate
CID 2569608

Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxyanilino)-2-oxoethyl] 2-[(4-fluorophenyl)sulfonylamino]benzoate?
The IUPAC name of [2-(4-methoxyanilino)-2-oxoethyl] 2-[(4-fluorophenyl)sulfonylamino]benzoate (CID 2553219) is [2-(4-methoxyanilino)-2-oxoethyl] 2-[(4-fluorophenyl)sulfonylamino]benzoate.
What is the SMILES notation for [2-(4-methoxyanilino)-2-oxoethyl] 2-[(4-fluorophenyl)sulfonylamino]benzoate?
The canonical SMILES for [2-(4-methoxyanilino)-2-oxoethyl] 2-[(4-fluorophenyl)sulfonylamino]benzoate is COc1ccc(NC(=O)COC(=O)c2ccccc2NS(=O)(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of [2-(4-methoxyanilino)-2-oxoethyl] 2-[(4-fluorophenyl)sulfonylamino]benzoate?
The InChIKey is SIYQFYOOVUVWIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN2O6S/c1-30-17-10-8-16(9-11-17)24-21(26)14-31-22(27)19-4-2-3-5-20(19)25-32(28,29)18-12-6-15(23)7-13-18/h2-13,25H,14H2,1H3,(H,24,26).
What are the key properties of [2-(4-methoxyanilino)-2-oxoethyl] 2-[(4-fluorophenyl)sulfonylamino]benzoate?
[2-(4-methoxyanilino)-2-oxoethyl] 2-[(4-fluorophenyl)sulfonylamino]benzoate has a molecular weight of 458.47 g/mol, XLogP of 3.43, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxyanilino)-2-oxoethyl] 2-[(4-fluorophenyl)sulfonylamino]benzoate is sourced from PubChem (CID 2553219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).