[2-(2-ethoxyanilino)-2-oxoethyl] 3-(2,5-dichlorophenyl)sulfonylpropanoate

C19H19Cl2NO6S — CID 17260707

IUPAC[2-(2-ethoxyanilino)-2-oxoethyl] 3-(2,5-dichlorophenyl)sulfonylpropanoate
SMILESCCOc1ccccc1NC(=O)COC(=O)CCS(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C19H19Cl2NO6S/c1-2-27-16-6-4-3-5-15(16)22-18(23)12-28-19(24)9-10-29(25,26)17-11-13(20)7-8-14(17)21/h3-8,11H,2,9-10,12H2,1H3,(H,22,23)
InChIKeyVCDZVDRFTJMHIL-UHFFFAOYSA-N
MW460.34 g/mol
LogP3.74
Rot. Bonds9

About [2-(2-ethoxyanilino)-2-oxoethyl] 3-(2,5-dichlorophenyl)sulfonylpropanoate

[2-(2-ethoxyanilino)-2-oxoethyl] 3-(2,5-dichlorophenyl)sulfonylpropanoate (PubChem CID 17260707) has the molecular formula C19H19Cl2NO6S and a molecular weight of 460.34 g/mol. Its IUPAC name is [2-(2-ethoxyanilino)-2-oxoethyl] 3-(2,5-dichlorophenyl)sulfonylpropanoate.

Molecular Properties

Compound Name[2-(2-ethoxyanilino)-2-oxoethyl] 3-(2,5-dichlorophenyl)sulfonylpropanoate
PubChem CID17260707
Molecular FormulaC19H19Cl2NO6S
Molecular Weight460.34 g/mol
Exact Mass459.03
IUPAC Name[2-(2-ethoxyanilino)-2-oxoethyl] 3-(2,5-dichlorophenyl)sulfonylpropanoate
SMILESCCOc1ccccc1NC(=O)COC(=O)CCS(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C19H19Cl2NO6S/c1-2-27-16-6-4-3-5-15(16)22-18(23)12-28-19(24)9-10-29(25,26)17-11-13(20)7-8-14(17)21/h3-8,11H,2,9-10,12H2,1H3,(H,22,23)
InChIKeyVCDZVDRFTJMHIL-UHFFFAOYSA-N
XLogP3.74
TPSA98.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.34
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(2,5-dichloroanilino)-2-oxoethyl] 2-(2-ethoxyphenoxy)acetate
CID 7729248
[2-(2-ethoxyanilino)-2-oxoethyl] 2-(2,5-dichlorophenyl)sulfanylacetate
CID 7701704
[2-(2,5-dichloroanilino)-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate
CID 8731134
2-(2-bromo-4-chlorophenoxy)-N-(2-ethoxyphenyl)acetamide
CID 1367163
[2-(2-ethoxyanilino)-2-oxoethyl] 3-[(4-chlorobenzoyl)amino]propanoate
CID 7827367
[2-(2-ethoxyanilino)-2-oxoethyl] 2-amino-5-chlorobenzoate
CID 7472435
[2-(4-chloro-2-methylanilino)-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate
CID 7524394
2-[2-(2,5-dichlorophenyl)sulfonylethyl-ethylamino]-N-(2-methoxyphenyl)acetamide
CID 27219471
2-(2-acetamidophenoxy)-N-(2,5-dichlorophenyl)acetamide
CID 7867306
[2-(5-chloro-2-cyanoanilino)-2-oxoethyl] 2-(2-ethoxyphenoxy)acetate
CID 9272250
[2-(2-ethoxyanilino)-2-oxoethyl] 2-chloro-5-(dimethylsulfamoyl)benzoate
CID 2523972
[2-(2,5-dichloroanilino)-2-oxoethyl] 2-(2-methoxyphenoxy)acetate
CID 7854137

Frequently Asked Questions

What is the IUPAC name of [2-(2-ethoxyanilino)-2-oxoethyl] 3-(2,5-dichlorophenyl)sulfonylpropanoate?
The IUPAC name of [2-(2-ethoxyanilino)-2-oxoethyl] 3-(2,5-dichlorophenyl)sulfonylpropanoate (CID 17260707) is [2-(2-ethoxyanilino)-2-oxoethyl] 3-(2,5-dichlorophenyl)sulfonylpropanoate.
What is the SMILES notation for [2-(2-ethoxyanilino)-2-oxoethyl] 3-(2,5-dichlorophenyl)sulfonylpropanoate?
The canonical SMILES for [2-(2-ethoxyanilino)-2-oxoethyl] 3-(2,5-dichlorophenyl)sulfonylpropanoate is CCOc1ccccc1NC(=O)COC(=O)CCS(=O)(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of [2-(2-ethoxyanilino)-2-oxoethyl] 3-(2,5-dichlorophenyl)sulfonylpropanoate?
The InChIKey is VCDZVDRFTJMHIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2NO6S/c1-2-27-16-6-4-3-5-15(16)22-18(23)12-28-19(24)9-10-29(25,26)17-11-13(20)7-8-14(17)21/h3-8,11H,2,9-10,12H2,1H3,(H,22,23).
What are the key properties of [2-(2-ethoxyanilino)-2-oxoethyl] 3-(2,5-dichlorophenyl)sulfonylpropanoate?
[2-(2-ethoxyanilino)-2-oxoethyl] 3-(2,5-dichlorophenyl)sulfonylpropanoate has a molecular weight of 460.34 g/mol, XLogP of 3.74, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-ethoxyanilino)-2-oxoethyl] 3-(2,5-dichlorophenyl)sulfonylpropanoate is sourced from PubChem (CID 17260707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).