ethyl 4-[[2-(2-methylanilino)-2-oxoethyl]sulfamoyl]benzoate

C18H20N2O5S — CID 9342016

IUPACethyl 4-[[2-(2-methylanilino)-2-oxoethyl]sulfamoyl]benzoate
SMILESCCOC(=O)c1ccc(S(=O)(=O)NCC(=O)Nc2ccccc2C)cc1
InChIInChI=1S/C18H20N2O5S/c1-3-25-18(22)14-8-10-15(11-9-14)26(23,24)19-12-17(21)20-16-7-5-4-6-13(16)2/h4-11,19H,3,12H2,1-2H3,(H,20,21)
InChIKeyKRYBPAQALBLLMI-UHFFFAOYSA-N
MW376.43 g/mol
LogP2.09
Rot. Bonds7

About ethyl 4-[[2-(2-methylanilino)-2-oxoethyl]sulfamoyl]benzoate

ethyl 4-[[2-(2-methylanilino)-2-oxoethyl]sulfamoyl]benzoate (PubChem CID 9342016) has the molecular formula C18H20N2O5S and a molecular weight of 376.43 g/mol. Its IUPAC name is ethyl 4-[[2-(2-methylanilino)-2-oxoethyl]sulfamoyl]benzoate.

Molecular Properties

Compound Nameethyl 4-[[2-(2-methylanilino)-2-oxoethyl]sulfamoyl]benzoate
PubChem CID9342016
Molecular FormulaC18H20N2O5S
Molecular Weight376.43 g/mol
Exact Mass376.11
IUPAC Nameethyl 4-[[2-(2-methylanilino)-2-oxoethyl]sulfamoyl]benzoate
SMILESCCOC(=O)c1ccc(S(=O)(=O)NCC(=O)Nc2ccccc2C)cc1
InChIInChI=1S/C18H20N2O5S/c1-3-25-18(22)14-8-10-15(11-9-14)26(23,24)19-12-17(21)20-16-7-5-4-6-13(16)2/h4-11,19H,3,12H2,1-2H3,(H,20,21)
InChIKeyKRYBPAQALBLLMI-UHFFFAOYSA-N
XLogP2.09
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-ethylphenyl)sulfonylamino]-N-(2-methylphenyl)acetamide
CID 112996082
2-[(4-bromophenyl)sulfonylamino]-N-(2-methylphenyl)acetamide
CID 1316963
2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(2-methylphenyl)acetamide
CID 112996092
N-(2,3-dimethylphenyl)-2-[(4-ethoxyphenyl)sulfonylamino]acetamide
CID 9342508
2-[4-(ethylsulfamoyl)phenyl]-N-(2-methylphenyl)acetamide
CID 75506253
ethyl 4-[[4-(5-fluoro-2-methylanilino)-4-oxobutyl]sulfamoyl]benzoate
CID 9211647
ethyl 4-(hydrazinesulfonyl)benzoate
CID 19755145
methyl 4-[(2-ethoxy-2-oxoethyl)sulfamoyl]benzoate
CID 60817086
N-(2-cyanophenyl)-2-[(4-ethylphenyl)sulfonylamino]acetamide
CID 113001872
ethyl 4-[[2-[(3-chlorophenyl)sulfonylamino]acetyl]amino]benzoate
CID 113000819
[2-(2-methylanilino)-2-oxoethyl] 3-(propylsulfamoyl)benzoate
CID 7537038
ethyl 4-(3-aminobutylsulfamoyl)benzoate;hydrochloride
CID 119972640

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-(2-methylanilino)-2-oxoethyl]sulfamoyl]benzoate?
The IUPAC name of ethyl 4-[[2-(2-methylanilino)-2-oxoethyl]sulfamoyl]benzoate (CID 9342016) is ethyl 4-[[2-(2-methylanilino)-2-oxoethyl]sulfamoyl]benzoate.
What is the SMILES notation for ethyl 4-[[2-(2-methylanilino)-2-oxoethyl]sulfamoyl]benzoate?
The canonical SMILES for ethyl 4-[[2-(2-methylanilino)-2-oxoethyl]sulfamoyl]benzoate is CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)Nc2ccccc2C)cc1.
What is the InChIKey of ethyl 4-[[2-(2-methylanilino)-2-oxoethyl]sulfamoyl]benzoate?
The InChIKey is KRYBPAQALBLLMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5S/c1-3-25-18(22)14-8-10-15(11-9-14)26(23,24)19-12-17(21)20-16-7-5-4-6-13(16)2/h4-11,19H,3,12H2,1-2H3,(H,20,21).
What are the key properties of ethyl 4-[[2-(2-methylanilino)-2-oxoethyl]sulfamoyl]benzoate?
ethyl 4-[[2-(2-methylanilino)-2-oxoethyl]sulfamoyl]benzoate has a molecular weight of 376.43 g/mol, XLogP of 2.09, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-(2-methylanilino)-2-oxoethyl]sulfamoyl]benzoate is sourced from PubChem (CID 9342016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).