ethyl 2-(N-(4-acetamidophenyl)sulfonyl-4-chloro-3-methylanilino)acetate

C19H21ClN2O5S — CID 50889734

IUPACethyl 2-(N-(4-acetamidophenyl)sulfonyl-4-chloro-3-methylanilino)acetate
SMILESCCOC(=O)CN(c1ccc(Cl)c(C)c1)S(=O)(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C19H21ClN2O5S/c1-4-27-19(24)12-22(16-7-10-18(20)13(2)11-16)28(25,26)17-8-5-15(6-9-17)21-14(3)23/h5-11H,4,12H2,1-3H3,(H,21,23)
InChIKeyXFFLWPCADKMJOT-UHFFFAOYSA-N
MW424.91 g/mol
LogP3.37
Rot. Bonds7

About ethyl 2-(N-(4-acetamidophenyl)sulfonyl-4-chloro-3-methylanilino)acetate

ethyl 2-(N-(4-acetamidophenyl)sulfonyl-4-chloro-3-methylanilino)acetate (PubChem CID 50889734) has the molecular formula C19H21ClN2O5S and a molecular weight of 424.91 g/mol. Its IUPAC name is ethyl 2-(N-(4-acetamidophenyl)sulfonyl-4-chloro-3-methylanilino)acetate.

Molecular Properties

Compound Nameethyl 2-(N-(4-acetamidophenyl)sulfonyl-4-chloro-3-methylanilino)acetate
PubChem CID50889734
Molecular FormulaC19H21ClN2O5S
Molecular Weight424.91 g/mol
Exact Mass424.09
IUPAC Nameethyl 2-(N-(4-acetamidophenyl)sulfonyl-4-chloro-3-methylanilino)acetate
SMILESCCOC(=O)CN(c1ccc(Cl)c(C)c1)S(=O)(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C19H21ClN2O5S/c1-4-27-19(24)12-22(16-7-10-18(20)13(2)11-16)28(25,26)17-8-5-15(6-9-17)21-14(3)23/h5-11H,4,12H2,1-3H3,(H,21,23)
InChIKeyXFFLWPCADKMJOT-UHFFFAOYSA-N
XLogP3.37
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.91
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(4-chloro-N-(4-fluorophenyl)sulfonyl-3-methylanilino)acetate
CID 50895637
ethyl 2-(N-(4-acetamidophenyl)sulfonyl-2,3-dichloroanilino)acetate
CID 50889406
ethyl 2-(N-(4-acetamidophenyl)sulfonyl-4-propoxyanilino)acetate
CID 50889690
ethyl 2-(4-chloro-N-(2,5-dichlorophenyl)sulfonyl-3-methylanilino)acetate
CID 50895540
ethyl 2-(N-(4-acetamidophenyl)sulfonyl-2-fluoroanilino)acetate
CID 50889178
ethyl 2-chloro-5-[[2-(3,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzoate
CID 30306211
ethyl 2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)acetate
CID 50890111
methyl 2-(N-(4-acetamidophenyl)sulfonyl-2,4,6-trimethylanilino)acetate
CID 50889481
ethyl 5-[[2-[N-(benzenesulfonyl)-3,4-dimethylanilino]acetyl]amino]-2-chlorobenzoate
CID 28636447
ethyl 2-[N-(3,4-dichlorophenyl)sulfonyl-3-(trifluoromethyl)anilino]acetate
CID 50893211
ethyl 2-(3-chloro-N-(2,5-dichlorophenyl)sulfonyl-4-methylanilino)acetate
CID 100508031
ethyl 2-(2,4-dichloro-N-(4-chlorophenyl)sulfonylanilino)acetate
CID 50892167

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(N-(4-acetamidophenyl)sulfonyl-4-chloro-3-methylanilino)acetate?
The IUPAC name of ethyl 2-(N-(4-acetamidophenyl)sulfonyl-4-chloro-3-methylanilino)acetate (CID 50889734) is ethyl 2-(N-(4-acetamidophenyl)sulfonyl-4-chloro-3-methylanilino)acetate.
What is the SMILES notation for ethyl 2-(N-(4-acetamidophenyl)sulfonyl-4-chloro-3-methylanilino)acetate?
The canonical SMILES for ethyl 2-(N-(4-acetamidophenyl)sulfonyl-4-chloro-3-methylanilino)acetate is CCOC(=O)CN(c1ccc(Cl)c(C)c1)S(=O)(=O)c1ccc(NC(C)=O)cc1.
What is the InChIKey of ethyl 2-(N-(4-acetamidophenyl)sulfonyl-4-chloro-3-methylanilino)acetate?
The InChIKey is XFFLWPCADKMJOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O5S/c1-4-27-19(24)12-22(16-7-10-18(20)13(2)11-16)28(25,26)17-8-5-15(6-9-17)21-14(3)23/h5-11H,4,12H2,1-3H3,(H,21,23).
What are the key properties of ethyl 2-(N-(4-acetamidophenyl)sulfonyl-4-chloro-3-methylanilino)acetate?
ethyl 2-(N-(4-acetamidophenyl)sulfonyl-4-chloro-3-methylanilino)acetate has a molecular weight of 424.91 g/mol, XLogP of 3.37, 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-4-chloro-3-methylanilino)acetate is sourced from PubChem (CID 50889734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).