[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-ethoxyacetate

C16H24N2O6S — CID 8709618

IUPAC[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-ethoxyacetate
SMILESCCOCC(=O)OCC(=O)Nc1ccc(S(=O)(=O)N(CC)CC)cc1
InChIInChI=1S/C16H24N2O6S/c1-4-18(5-2)25(21,22)14-9-7-13(8-10-14)17-15(19)11-24-16(20)12-23-6-3/h7-10H,4-6,11-12H2,1-3H3,(H,17,19)
InChIKeyGKIBNOJKPGCTSY-UHFFFAOYSA-N
MW372.44 g/mol
LogP1.24
Rot. Bonds10

About [2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-ethoxyacetate

[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-ethoxyacetate (PubChem CID 8709618) has the molecular formula C16H24N2O6S and a molecular weight of 372.44 g/mol. Its IUPAC name is [2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-ethoxyacetate.

Molecular Properties

Compound Name[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-ethoxyacetate
PubChem CID8709618
Molecular FormulaC16H24N2O6S
Molecular Weight372.44 g/mol
Exact Mass372.14
IUPAC Name[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-ethoxyacetate
SMILESCCOCC(=O)OCC(=O)Nc1ccc(S(=O)(=O)N(CC)CC)cc1
InChIInChI=1S/C16H24N2O6S/c1-4-18(5-2)25(21,22)14-9-7-13(8-10-14)17-15(19)11-24-16(20)12-23-6-3/h7-10H,4-6,11-12H2,1-3H3,(H,17,19)
InChIKeyGKIBNOJKPGCTSY-UHFFFAOYSA-N
XLogP1.24
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 4-oxopentanoate
CID 8626147
[2-(4-acetamidoanilino)-2-oxoethyl] 4-(diethylsulfamoyl)benzoate
CID 55314654
[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-(3,4-dimethoxyphenyl)acetate
CID 55314759
(2-anilino-2-oxoethyl) 4-(diethylsulfamoyl)benzoate
CID 2557673
2-bromo-N-[4-(diethylsulfamoyl)phenyl]acetamide
CID 46736589
[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-bromobenzoate
CID 2624031
butyl 4-[[2-[4-(diethylsulfamoyl)benzoyl]oxyacetyl]amino]benzoate
CID 55314415
[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 2,5-dichlorobenzoate
CID 2488667
[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 5-bromofuran-2-carboxylate
CID 2434657
[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 2,5-dimethylbenzoate
CID 2519907
[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 5-chlorothiophene-2-carboxylate
CID 41091065
[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 5-bromopyridine-3-carboxylate
CID 2346813

Frequently Asked Questions

What is the IUPAC name of [2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-ethoxyacetate?
The IUPAC name of [2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-ethoxyacetate (CID 8709618) is [2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-ethoxyacetate.
What is the SMILES notation for [2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-ethoxyacetate?
The canonical SMILES for [2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-ethoxyacetate is CCOCC(=O)OCC(=O)Nc1ccc(S(=O)(=O)N(CC)CC)cc1.
What is the InChIKey of [2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-ethoxyacetate?
The InChIKey is GKIBNOJKPGCTSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O6S/c1-4-18(5-2)25(21,22)14-9-7-13(8-10-14)17-15(19)11-24-16(20)12-23-6-3/h7-10H,4-6,11-12H2,1-3H3,(H,17,19).
What are the key properties of [2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-ethoxyacetate?
[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-ethoxyacetate has a molecular weight of 372.44 g/mol, XLogP of 1.24, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-ethoxyacetate is sourced from PubChem (CID 8709618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).