ethyl 2-[(2-anilino-2-oxoethyl)-methylsulfonylamino]benzoate

C18H20N2O5S — CID 113157108

IUPACethyl 2-[(2-anilino-2-oxoethyl)-methylsulfonylamino]benzoate
SMILESCCOC(=O)c1ccccc1N(CC(=O)Nc1ccccc1)S(C)(=O)=O
InChIInChI=1S/C18H20N2O5S/c1-3-25-18(22)15-11-7-8-12-16(15)20(26(2,23)24)13-17(21)19-14-9-5-4-6-10-14/h4-12H,3,13H2,1-2H3,(H,19,21)
InChIKeyHTXASUKOVHFOPB-UHFFFAOYSA-N
MW376.43 g/mol
LogP2.27
Rot. Bonds7

About ethyl 2-[(2-anilino-2-oxoethyl)-methylsulfonylamino]benzoate

ethyl 2-[(2-anilino-2-oxoethyl)-methylsulfonylamino]benzoate (PubChem CID 113157108) has the molecular formula C18H20N2O5S and a molecular weight of 376.43 g/mol. Its IUPAC name is ethyl 2-[(2-anilino-2-oxoethyl)-methylsulfonylamino]benzoate.

Molecular Properties

Compound Nameethyl 2-[(2-anilino-2-oxoethyl)-methylsulfonylamino]benzoate
PubChem CID113157108
Molecular FormulaC18H20N2O5S
Molecular Weight376.43 g/mol
Exact Mass376.11
IUPAC Nameethyl 2-[(2-anilino-2-oxoethyl)-methylsulfonylamino]benzoate
SMILESCCOC(=O)c1ccccc1N(CC(=O)Nc1ccccc1)S(C)(=O)=O
InChIInChI=1S/C18H20N2O5S/c1-3-25-18(22)15-11-7-8-12-16(15)20(26(2,23)24)13-17(21)19-14-9-5-4-6-10-14/h4-12H,3,13H2,1-2H3,(H,19,21)
InChIKeyHTXASUKOVHFOPB-UHFFFAOYSA-N
XLogP2.27
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[[2-(2-chloro-N-methylsulfonylanilino)acetyl]amino]benzoate
CID 1120560
ethyl 4-[[2-(N-methylsulfonylanilino)acetyl]amino]benzoate
CID 1361162
methyl 2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylsulfonylamino]benzoate
CID 113155917
ethyl 4-[[2-(2-bromo-N-methylsulfonylanilino)acetyl]amino]-2-chlorobenzoate
CID 46771686
ethyl 2-[2-acetamidoethyl(methylsulfonyl)amino]benzoate
CID 113072126
2-(N-methylsulfonyl-2-propan-2-ylanilino)-N-phenylacetamide
CID 30257747
2-(2,4-dimethyl-N-methylsulfonylanilino)-N-phenylacetamide
CID 30168671
ethyl 2-[[3-(tert-butylamino)-3-oxopropyl]-methylsulfonylamino]benzoate
CID 113146691
2-(2-ethyl-N-methylsulfonylanilino)-N-(4-ethylphenyl)acetamide
CID 113154121
2-(2-methyl-N-methylsulfonylanilino)-N-(4-phenoxyphenyl)acetamide
CID 8574795
methyl 2-[[2-(2-fluoroanilino)-2-oxoethyl]-methylsulfonylamino]benzoate
CID 113155909
2-(4-ethyl-N-methylsulfonylanilino)-N-phenylacetamide
CID 951908

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-anilino-2-oxoethyl)-methylsulfonylamino]benzoate?
The IUPAC name of ethyl 2-[(2-anilino-2-oxoethyl)-methylsulfonylamino]benzoate (CID 113157108) is ethyl 2-[(2-anilino-2-oxoethyl)-methylsulfonylamino]benzoate.
What is the SMILES notation for ethyl 2-[(2-anilino-2-oxoethyl)-methylsulfonylamino]benzoate?
The canonical SMILES for ethyl 2-[(2-anilino-2-oxoethyl)-methylsulfonylamino]benzoate is CCOC(=O)c1ccccc1N(CC(=O)Nc1ccccc1)S(C)(=O)=O.
What is the InChIKey of ethyl 2-[(2-anilino-2-oxoethyl)-methylsulfonylamino]benzoate?
The InChIKey is HTXASUKOVHFOPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5S/c1-3-25-18(22)15-11-7-8-12-16(15)20(26(2,23)24)13-17(21)19-14-9-5-4-6-10-14/h4-12H,3,13H2,1-2H3,(H,19,21).
What are the key properties of ethyl 2-[(2-anilino-2-oxoethyl)-methylsulfonylamino]benzoate?
ethyl 2-[(2-anilino-2-oxoethyl)-methylsulfonylamino]benzoate has a molecular weight of 376.43 g/mol, XLogP of 2.27, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-anilino-2-oxoethyl)-methylsulfonylamino]benzoate is sourced from PubChem (CID 113157108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).