ethyl 2-(N-(4-acetamidophenyl)sulfonyl-2-fluoroanilino)acetate

C18H19FN2O5S — CID 50889178

IUPACethyl 2-(N-(4-acetamidophenyl)sulfonyl-2-fluoroanilino)acetate
SMILESCCOC(=O)CN(c1ccccc1F)S(=O)(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C18H19FN2O5S/c1-3-26-18(23)12-21(17-7-5-4-6-16(17)19)27(24,25)15-10-8-14(9-11-15)20-13(2)22/h4-11H,3,12H2,1-2H3,(H,20,22)
InChIKeyILRWDUJSXCFNAG-UHFFFAOYSA-N
MW394.42 g/mol
LogP2.54
Rot. Bonds7

About ethyl 2-(N-(4-acetamidophenyl)sulfonyl-2-fluoroanilino)acetate

ethyl 2-(N-(4-acetamidophenyl)sulfonyl-2-fluoroanilino)acetate (PubChem CID 50889178) has the molecular formula C18H19FN2O5S and a molecular weight of 394.42 g/mol. Its IUPAC name is ethyl 2-(N-(4-acetamidophenyl)sulfonyl-2-fluoroanilino)acetate.

Molecular Properties

Compound Nameethyl 2-(N-(4-acetamidophenyl)sulfonyl-2-fluoroanilino)acetate
PubChem CID50889178
Molecular FormulaC18H19FN2O5S
Molecular Weight394.42 g/mol
Exact Mass394.10
IUPAC Nameethyl 2-(N-(4-acetamidophenyl)sulfonyl-2-fluoroanilino)acetate
SMILESCCOC(=O)CN(c1ccccc1F)S(=O)(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C18H19FN2O5S/c1-3-26-18(23)12-21(17-7-5-4-6-16(17)19)27(24,25)15-10-8-14(9-11-15)20-13(2)22/h4-11H,3,12H2,1-2H3,(H,20,22)
InChIKeyILRWDUJSXCFNAG-UHFFFAOYSA-N
XLogP2.54
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.42
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(N-(4-acetamidophenyl)sulfonyl-2,3-dichloroanilino)acetate
CID 50889406
ethyl 2-(N-(4-acetamidophenyl)sulfonyl-2-methyl-3-nitroanilino)acetate
CID 100500698
methyl 2-(N-(4-acetamidophenyl)sulfonyl-2-methylanilino)acetate
CID 50889081
2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-(4-ethoxyphenyl)acetamide
CID 1098100
ethyl 2-(2-fluoro-N-(2-nitrophenyl)sulfonylanilino)acetate
CID 50890076
2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)-N,N-dimethylacetamide
CID 51345438
N-[4-[(2-ethoxyphenyl)-(2-hydrazinyl-2-oxoethyl)sulfamoyl]phenyl]acetamide
CID 50889321
ethyl 2-(N-(4-acetamidophenyl)sulfonyl-4-propoxyanilino)acetate
CID 50889690
ethyl 2-(N-(4-acetamidophenyl)sulfonyl-4-chloro-3-methylanilino)acetate
CID 50889734
2-(2-fluoro-N-(4-methoxyphenyl)sulfonylanilino)-N-(4-fluorophenyl)acetamide
CID 30264759
N-(4-ethylphenyl)-2-(2-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 30262115
2-[(4-acetamidophenyl)sulfonyl-[4-[(2-ethoxy-2-oxoethyl)-[4-(3-phenylcyclopentyl)phenyl]sulfonylamino]naphthalen-1-yl]amino]acetic acid
CID 167095801

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(N-(4-acetamidophenyl)sulfonyl-2-fluoroanilino)acetate?
The IUPAC name of ethyl 2-(N-(4-acetamidophenyl)sulfonyl-2-fluoroanilino)acetate (CID 50889178) is ethyl 2-(N-(4-acetamidophenyl)sulfonyl-2-fluoroanilino)acetate.
What is the SMILES notation for ethyl 2-(N-(4-acetamidophenyl)sulfonyl-2-fluoroanilino)acetate?
The canonical SMILES for ethyl 2-(N-(4-acetamidophenyl)sulfonyl-2-fluoroanilino)acetate is CCOC(=O)CN(c1ccccc1F)S(=O)(=O)c1ccc(NC(C)=O)cc1.
What is the InChIKey of ethyl 2-(N-(4-acetamidophenyl)sulfonyl-2-fluoroanilino)acetate?
The InChIKey is ILRWDUJSXCFNAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O5S/c1-3-26-18(23)12-21(17-7-5-4-6-16(17)19)27(24,25)15-10-8-14(9-11-15)20-13(2)22/h4-11H,3,12H2,1-2H3,(H,20,22).
What are the key properties of ethyl 2-(N-(4-acetamidophenyl)sulfonyl-2-fluoroanilino)acetate?
ethyl 2-(N-(4-acetamidophenyl)sulfonyl-2-fluoroanilino)acetate has a molecular weight of 394.42 g/mol, XLogP of 2.54, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(N-(4-acetamidophenyl)sulfonyl-2-fluoroanilino)acetate is sourced from PubChem (CID 50889178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).