[2-(2-ethoxyanilino)-2-oxoethyl] 5-(ethylsulfamoyl)-2-methylbenzoate

C20H24N2O6S — CID 31866861

IUPAC[2-(2-ethoxyanilino)-2-oxoethyl] 5-(ethylsulfamoyl)-2-methylbenzoate
SMILESCCNS(=O)(=O)c1ccc(C)c(C(=O)OCC(=O)Nc2ccccc2OCC)c1
InChIInChI=1S/C20H24N2O6S/c1-4-21-29(25,26)15-11-10-14(3)16(12-15)20(24)28-13-19(23)22-17-8-6-7-9-18(17)27-5-2/h6-12,21H,4-5,13H2,1-3H3,(H,22,23)
InChIKeyQWRIESSNHGFATN-UHFFFAOYSA-N
MW420.49 g/mol
LogP2.49
Rot. Bonds9

About [2-(2-ethoxyanilino)-2-oxoethyl] 5-(ethylsulfamoyl)-2-methylbenzoate

[2-(2-ethoxyanilino)-2-oxoethyl] 5-(ethylsulfamoyl)-2-methylbenzoate (PubChem CID 31866861) has the molecular formula C20H24N2O6S and a molecular weight of 420.49 g/mol. Its IUPAC name is [2-(2-ethoxyanilino)-2-oxoethyl] 5-(ethylsulfamoyl)-2-methylbenzoate.

Molecular Properties

Compound Name[2-(2-ethoxyanilino)-2-oxoethyl] 5-(ethylsulfamoyl)-2-methylbenzoate
PubChem CID31866861
Molecular FormulaC20H24N2O6S
Molecular Weight420.49 g/mol
Exact Mass420.14
IUPAC Name[2-(2-ethoxyanilino)-2-oxoethyl] 5-(ethylsulfamoyl)-2-methylbenzoate
SMILESCCNS(=O)(=O)c1ccc(C)c(C(=O)OCC(=O)Nc2ccccc2OCC)c1
InChIInChI=1S/C20H24N2O6S/c1-4-21-29(25,26)15-11-10-14(3)16(12-15)20(24)28-13-19(23)22-17-8-6-7-9-18(17)27-5-2/h6-12,21H,4-5,13H2,1-3H3,(H,22,23)
InChIKeyQWRIESSNHGFATN-UHFFFAOYSA-N
XLogP2.49
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(2-ethoxyanilino)-2-oxoethyl] 3-(propylsulfamoyl)benzoate
CID 7537050
N-[2-(4-ethoxyphenoxy)phenyl]-5-(ethylsulfamoyl)-2-methylbenzamide
CID 39971961
[2-(2-ethoxyanilino)-2-oxoethyl] 2-chloro-5-(dimethylsulfamoyl)benzoate
CID 2523972
[2-oxo-2-(2-phenoxyanilino)ethyl] 2-methyl-5-sulfamoylbenzoate
CID 31653771
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-methyl-5-methylsulfonylbenzoate
CID 7849265
[2-[2-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 2-methyl-5-methylsulfonylbenzoate
CID 7849901
[2-(2-ethoxyanilino)-2-oxoethyl] 2-ethylsulfonylbenzoate
CID 8855243
[2-(2-ethoxyanilino)-2-oxoethyl] 3-[(4-ethoxyphenyl)sulfonylamino]propanoate
CID 35777078
[2-[methyl(propan-2-yl)amino]-2-oxoethyl] 5-(ethylsulfamoyl)-2-methylbenzoate
CID 55401208
[2-(2-methoxyanilino)-2-oxoethyl] 2,5-dimethylbenzoate
CID 2519990
[2-(2-ethoxyanilino)-2-oxoethyl] 2-amino-5-bromobenzoate
CID 7149321
[2-(2-methoxyanilino)-2-oxoethyl] 2-[(3,4-dimethylphenyl)sulfonylamino]acetate
CID 7234623

Frequently Asked Questions

What is the IUPAC name of [2-(2-ethoxyanilino)-2-oxoethyl] 5-(ethylsulfamoyl)-2-methylbenzoate?
The IUPAC name of [2-(2-ethoxyanilino)-2-oxoethyl] 5-(ethylsulfamoyl)-2-methylbenzoate (CID 31866861) is [2-(2-ethoxyanilino)-2-oxoethyl] 5-(ethylsulfamoyl)-2-methylbenzoate.
What is the SMILES notation for [2-(2-ethoxyanilino)-2-oxoethyl] 5-(ethylsulfamoyl)-2-methylbenzoate?
The canonical SMILES for [2-(2-ethoxyanilino)-2-oxoethyl] 5-(ethylsulfamoyl)-2-methylbenzoate is CCNS(=O)(=O)c1ccc(C)c(C(=O)OCC(=O)Nc2ccccc2OCC)c1.
What is the InChIKey of [2-(2-ethoxyanilino)-2-oxoethyl] 5-(ethylsulfamoyl)-2-methylbenzoate?
The InChIKey is QWRIESSNHGFATN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O6S/c1-4-21-29(25,26)15-11-10-14(3)16(12-15)20(24)28-13-19(23)22-17-8-6-7-9-18(17)27-5-2/h6-12,21H,4-5,13H2,1-3H3,(H,22,23).
What are the key properties of [2-(2-ethoxyanilino)-2-oxoethyl] 5-(ethylsulfamoyl)-2-methylbenzoate?
[2-(2-ethoxyanilino)-2-oxoethyl] 5-(ethylsulfamoyl)-2-methylbenzoate has a molecular weight of 420.49 g/mol, XLogP of 2.49, 9 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] 5-(ethylsulfamoyl)-2-methylbenzoate is sourced from PubChem (CID 31866861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).