[2-(2-ethoxyanilino)-2-oxoethyl] 3-(propylsulfamoyl)benzoate

C20H24N2O6S — CID 7537050

IUPAC[2-(2-ethoxyanilino)-2-oxoethyl] 3-(propylsulfamoyl)benzoate
SMILESCCCNS(=O)(=O)c1cccc(C(=O)OCC(=O)Nc2ccccc2OCC)c1
InChIInChI=1S/C20H24N2O6S/c1-3-12-21-29(25,26)16-9-7-8-15(13-16)20(24)28-14-19(23)22-17-10-5-6-11-18(17)27-4-2/h5-11,13,21H,3-4,12,14H2,1-2H3,(H,22,23)
InChIKeyZBNLQVDUAZQTNF-UHFFFAOYSA-N
MW420.49 g/mol
LogP2.57
Rot. Bonds10

About [2-(2-ethoxyanilino)-2-oxoethyl] 3-(propylsulfamoyl)benzoate

[2-(2-ethoxyanilino)-2-oxoethyl] 3-(propylsulfamoyl)benzoate (PubChem CID 7537050) has the molecular formula C20H24N2O6S and a molecular weight of 420.49 g/mol. Its IUPAC name is [2-(2-ethoxyanilino)-2-oxoethyl] 3-(propylsulfamoyl)benzoate.

Molecular Properties

Compound Name[2-(2-ethoxyanilino)-2-oxoethyl] 3-(propylsulfamoyl)benzoate
PubChem CID7537050
Molecular FormulaC20H24N2O6S
Molecular Weight420.49 g/mol
Exact Mass420.14
IUPAC Name[2-(2-ethoxyanilino)-2-oxoethyl] 3-(propylsulfamoyl)benzoate
SMILESCCCNS(=O)(=O)c1cccc(C(=O)OCC(=O)Nc2ccccc2OCC)c1
InChIInChI=1S/C20H24N2O6S/c1-3-12-21-29(25,26)16-9-7-8-15(13-16)20(24)28-14-19(23)22-17-10-5-6-11-18(17)27-4-2/h5-11,13,21H,3-4,12,14H2,1-2H3,(H,22,23)
InChIKeyZBNLQVDUAZQTNF-UHFFFAOYSA-N
XLogP2.57
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(2-methylanilino)-2-oxoethyl] 3-(propylsulfamoyl)benzoate
CID 7537038
N-(2-ethoxyphenyl)-3-(propylsulfamoyl)benzamide
CID 109061947
3-O-[2-(2-ethoxyanilino)-2-oxoethyl] 1-O-methyl benzene-1,3-dicarboxylate
CID 46860631
[2-(2-ethoxyanilino)-2-oxoethyl] 3-acetylbenzoate
CID 46860693
[2-(2-ethoxyanilino)-2-oxoethyl] 5-(ethylsulfamoyl)-2-methylbenzoate
CID 31866861
[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 3-(propylsulfamoyl)benzoate
CID 9330312
[2-(2-ethoxyanilino)-2-oxoethyl] 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate
CID 29141875
[2-oxo-2-(prop-2-ynylamino)ethyl] 3-(propylsulfamoyl)benzoate
CID 9330273
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 3-(propylsulfamoyl)benzoate
CID 7537079
[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] 3-(propylsulfamoyl)benzoate
CID 7536863
[2-(2-ethoxyanilino)-2-oxoethyl] 3-[(4-ethoxyphenyl)sulfonylamino]propanoate
CID 35777078
[2-(2-bromoanilino)-2-oxoethyl] 3-(methylsulfamoyl)benzoate
CID 2607745

Frequently Asked Questions

What is the IUPAC name of [2-(2-ethoxyanilino)-2-oxoethyl] 3-(propylsulfamoyl)benzoate?
The IUPAC name of [2-(2-ethoxyanilino)-2-oxoethyl] 3-(propylsulfamoyl)benzoate (CID 7537050) is [2-(2-ethoxyanilino)-2-oxoethyl] 3-(propylsulfamoyl)benzoate.
What is the SMILES notation for [2-(2-ethoxyanilino)-2-oxoethyl] 3-(propylsulfamoyl)benzoate?
The canonical SMILES for [2-(2-ethoxyanilino)-2-oxoethyl] 3-(propylsulfamoyl)benzoate is CCCNS(=O)(=O)c1cccc(C(=O)OCC(=O)Nc2ccccc2OCC)c1.
What is the InChIKey of [2-(2-ethoxyanilino)-2-oxoethyl] 3-(propylsulfamoyl)benzoate?
The InChIKey is ZBNLQVDUAZQTNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O6S/c1-3-12-21-29(25,26)16-9-7-8-15(13-16)20(24)28-14-19(23)22-17-10-5-6-11-18(17)27-4-2/h5-11,13,21H,3-4,12,14H2,1-2H3,(H,22,23).
What are the key properties of [2-(2-ethoxyanilino)-2-oxoethyl] 3-(propylsulfamoyl)benzoate?
[2-(2-ethoxyanilino)-2-oxoethyl] 3-(propylsulfamoyl)benzoate has a molecular weight of 420.49 g/mol, XLogP of 2.57, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-ethoxyanilino)-2-oxoethyl] 3-(propylsulfamoyl)benzoate is sourced from PubChem (CID 7537050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).