[2-(ethylamino)-2-oxoethyl] 3-[(3-methylphenyl)sulfamoyl]benzoate

C18H20N2O5S — CID 2706772

IUPAC[2-(ethylamino)-2-oxoethyl] 3-[(3-methylphenyl)sulfamoyl]benzoate
SMILESCCNC(=O)COC(=O)c1cccc(S(=O)(=O)Nc2cccc(C)c2)c1
InChIInChI=1S/C18H20N2O5S/c1-3-19-17(21)12-25-18(22)14-7-5-9-16(11-14)26(23,24)20-15-8-4-6-13(2)10-15/h4-11,20H,3,12H2,1-2H3,(H,19,21)
InChIKeyRLJBRUALWKSLRU-UHFFFAOYSA-N
MW376.43 g/mol
LogP2.09
Rot. Bonds7

About [2-(ethylamino)-2-oxoethyl] 3-[(3-methylphenyl)sulfamoyl]benzoate

[2-(ethylamino)-2-oxoethyl] 3-[(3-methylphenyl)sulfamoyl]benzoate (PubChem CID 2706772) has the molecular formula C18H20N2O5S and a molecular weight of 376.43 g/mol. Its IUPAC name is [2-(ethylamino)-2-oxoethyl] 3-[(3-methylphenyl)sulfamoyl]benzoate.

Molecular Properties

Compound Name[2-(ethylamino)-2-oxoethyl] 3-[(3-methylphenyl)sulfamoyl]benzoate
PubChem CID2706772
Molecular FormulaC18H20N2O5S
Molecular Weight376.43 g/mol
Exact Mass376.11
IUPAC Name[2-(ethylamino)-2-oxoethyl] 3-[(3-methylphenyl)sulfamoyl]benzoate
SMILESCCNC(=O)COC(=O)c1cccc(S(=O)(=O)Nc2cccc(C)c2)c1
InChIInChI=1S/C18H20N2O5S/c1-3-19-17(21)12-25-18(22)14-7-5-9-16(11-14)26(23,24)20-15-8-4-6-13(2)10-15/h4-11,20H,3,12H2,1-2H3,(H,19,21)
InChIKeyRLJBRUALWKSLRU-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-oxo-2-(prop-2-ynylamino)ethyl] 3-[(3-methylphenyl)sulfamoyl]benzoate
CID 9488090
[2-(ethoxycarbonylamino)-2-oxoethyl] 3-[(3-methylphenyl)sulfamoyl]benzoate
CID 2706788
[2-(cyclopentylamino)-2-oxoethyl] 3-[(3-methylphenyl)sulfamoyl]benzoate
CID 2706798
[2-(ethylamino)-2-oxoethyl] 3-methylsulfonylbenzoate
CID 2528487
[2-(ethylcarbamoylamino)-2-oxoethyl] 2-methyl-5-[(3-methylphenyl)sulfamoyl]benzoate
CID 2631471
ethyl 3-(phenylsulfamoyl)benzoate
CID 100552593
[2-(1-benzofuran-2-yl)-2-oxoethyl] 3-[(3-methylphenyl)sulfamoyl]benzoate
CID 25041610
[2-(1,3-benzodioxol-5-yl)-2-oxoethyl] 3-[(3-methylphenyl)sulfamoyl]benzoate
CID 55499402
2-[3-[(3-acetylphenyl)sulfonylamino]phenoxy]-N-ethylacetamide
CID 39871916
[(2S)-1-amino-1-oxopropan-2-yl] 3-[(3-methylphenyl)sulfamoyl]benzoate
CID 7744890
3-[(3-methylphenyl)sulfamoyl]benzoate
CID 7040416
[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 3-[(3-methylphenyl)sulfamoyl]benzoate
CID 31138226

Frequently Asked Questions

What is the IUPAC name of [2-(ethylamino)-2-oxoethyl] 3-[(3-methylphenyl)sulfamoyl]benzoate?
The IUPAC name of [2-(ethylamino)-2-oxoethyl] 3-[(3-methylphenyl)sulfamoyl]benzoate (CID 2706772) is [2-(ethylamino)-2-oxoethyl] 3-[(3-methylphenyl)sulfamoyl]benzoate.
What is the SMILES notation for [2-(ethylamino)-2-oxoethyl] 3-[(3-methylphenyl)sulfamoyl]benzoate?
The canonical SMILES for [2-(ethylamino)-2-oxoethyl] 3-[(3-methylphenyl)sulfamoyl]benzoate is CCNC(=O)COC(=O)c1cccc(S(=O)(=O)Nc2cccc(C)c2)c1.
What is the InChIKey of [2-(ethylamino)-2-oxoethyl] 3-[(3-methylphenyl)sulfamoyl]benzoate?
The InChIKey is RLJBRUALWKSLRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5S/c1-3-19-17(21)12-25-18(22)14-7-5-9-16(11-14)26(23,24)20-15-8-4-6-13(2)10-15/h4-11,20H,3,12H2,1-2H3,(H,19,21).
What are the key properties of [2-(ethylamino)-2-oxoethyl] 3-[(3-methylphenyl)sulfamoyl]benzoate?
[2-(ethylamino)-2-oxoethyl] 3-[(3-methylphenyl)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 [2-(ethylamino)-2-oxoethyl] 3-[(3-methylphenyl)sulfamoyl]benzoate is sourced from PubChem (CID 2706772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).