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

C17H24N2O6S — CID 8626147

IUPAC[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 4-oxopentanoate
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)COC(=O)CCC(C)=O)cc1
InChIInChI=1S/C17H24N2O6S/c1-4-19(5-2)26(23,24)15-9-7-14(8-10-15)18-16(21)12-25-17(22)11-6-13(3)20/h7-10H,4-6,11-12H2,1-3H3,(H,18,21)
InChIKeyKGJZUTFARXWKRC-UHFFFAOYSA-N
MW384.45 g/mol
LogP1.57
Rot. Bonds10

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

[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 4-oxopentanoate (PubChem CID 8626147) has the molecular formula C17H24N2O6S and a molecular weight of 384.45 g/mol. Its IUPAC name is [2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 4-oxopentanoate.

Molecular Properties

Compound Name[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 4-oxopentanoate
PubChem CID8626147
Molecular FormulaC17H24N2O6S
Molecular Weight384.45 g/mol
Exact Mass384.14
IUPAC Name[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 4-oxopentanoate
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)COC(=O)CCC(C)=O)cc1
InChIInChI=1S/C17H24N2O6S/c1-4-19(5-2)26(23,24)15-9-7-14(8-10-15)18-16(21)12-25-17(22)11-6-13(3)20/h7-10H,4-6,11-12H2,1-3H3,(H,18,21)
InChIKeyKGJZUTFARXWKRC-UHFFFAOYSA-N
XLogP1.57
TPSA109.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.45
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-ethoxyacetate
CID 8709618
[2-(4-acetamidoanilino)-2-oxoethyl] 4-(diethylsulfamoyl)benzoate
CID 55314654
[2-[4-[cyclohexyl(methyl)sulfamoyl]anilino]-2-oxoethyl] 4-oxopentanoate
CID 9199124
[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] butanoate
CID 7796929
[2-(4-iodoanilino)-2-oxoethyl] 4-oxopentanoate
CID 8626099
[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

Frequently Asked Questions

What is the IUPAC name of [2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 4-oxopentanoate?
The IUPAC name of [2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 4-oxopentanoate (CID 8626147) is [2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 4-oxopentanoate.
What is the SMILES notation for [2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 4-oxopentanoate?
The canonical SMILES for [2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 4-oxopentanoate is CCN(CC)S(=O)(=O)c1ccc(NC(=O)COC(=O)CCC(C)=O)cc1.
What is the InChIKey of [2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 4-oxopentanoate?
The InChIKey is KGJZUTFARXWKRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O6S/c1-4-19(5-2)26(23,24)15-9-7-14(8-10-15)18-16(21)12-25-17(22)11-6-13(3)20/h7-10H,4-6,11-12H2,1-3H3,(H,18,21).
What are the key properties of [2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 4-oxopentanoate?
[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 4-oxopentanoate has a molecular weight of 384.45 g/mol, XLogP of 1.57, 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] 4-oxopentanoate is sourced from PubChem (CID 8626147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).