[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate

C20H24N2O6S2 — CID 5100905

IUPAC[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate
SMILESCCN(CC)S(=O)(=O)c1cccc(NC(=O)COC(=O)CCC(=O)c2cccs2)c1
InChIInChI=1S/C20H24N2O6S2/c1-3-22(4-2)30(26,27)16-8-5-7-15(13-16)21-19(24)14-28-20(25)11-10-17(23)18-9-6-12-29-18/h5-9,12-13H,3-4,10-11,14H2,1-2H3,(H,21,24)
InChIKeyUIRLZWWIUSOPEV-UHFFFAOYSA-N
MW452.55 g/mol
LogP2.92
Rot. Bonds11

About [2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate

[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate (PubChem CID 5100905) has the molecular formula C20H24N2O6S2 and a molecular weight of 452.55 g/mol. Its IUPAC name is [2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate.

Molecular Properties

Compound Name[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate
PubChem CID5100905
Molecular FormulaC20H24N2O6S2
Molecular Weight452.55 g/mol
Exact Mass452.11
IUPAC Name[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate
SMILESCCN(CC)S(=O)(=O)c1cccc(NC(=O)COC(=O)CCC(=O)c2cccs2)c1
InChIInChI=1S/C20H24N2O6S2/c1-3-22(4-2)30(26,27)16-8-5-7-15(13-16)21-19(24)14-28-20(25)11-10-17(23)18-9-6-12-29-18/h5-9,12-13H,3-4,10-11,14H2,1-2H3,(H,21,24)
InChIKeyUIRLZWWIUSOPEV-UHFFFAOYSA-N
XLogP2.92
TPSA109.85 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.55
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate with MolForge

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Related Compounds

[2-(4-Methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate
CID 3962011
[2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate
CID 2370755
[2-oxo-2-(N-propan-2-ylanilino)ethyl] 4-oxo-4-thiophen-2-ylbutanoate
CID 2437605
[2-(4-Acetylanilino)-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate
CID 3949499
[2-[3-(Dimethylsulfamoyl)anilino]-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate
CID 4091312
[2-(2-Methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate
CID 4256886
[2-(3-Morpholin-4-ylsulfonylanilino)-2-oxoethyl] thiophene-2-carboxylate
CID 4275413
[2-Oxo-2-(3-sulfamoylanilino)ethyl] 2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetate
CID 4830718
[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate
CID 5797348
[2-(3-Fluoroanilino)-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate
CID 7799486
[2-(2-Methylanilino)-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate
CID 7800079
[2-(4-Fluoroanilino)-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate
CID 2352657

Frequently Asked Questions

What is the IUPAC name of [2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate?
The IUPAC name of [2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate (CID 5100905) is [2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate.
What is the SMILES notation for [2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate?
The canonical SMILES for [2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate is CCN(CC)S(=O)(=O)c1cccc(NC(=O)COC(=O)CCC(=O)c2cccs2)c1.
What is the InChIKey of [2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate?
The InChIKey is UIRLZWWIUSOPEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O6S2/c1-3-22(4-2)30(26,27)16-8-5-7-15(13-16)21-19(24)14-28-20(25)11-10-17(23)18-9-6-12-29-18/h5-9,12-13H,3-4,10-11,14H2,1-2H3,(H,21,24).
What are the key properties of [2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate?
[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate has a molecular weight of 452.55 g/mol, XLogP of 2.92, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate is sourced from PubChem (CID 5100905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).