[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-thiophen-2-ylacetate

C18H22N2O5S2 — CID 7799225

IUPAC[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-thiophen-2-ylacetate
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)COC(=O)Cc2cccs2)cc1
InChIInChI=1S/C18H22N2O5S2/c1-3-20(4-2)27(23,24)16-9-7-14(8-10-16)19-17(21)13-25-18(22)12-15-6-5-11-26-15/h5-11H,3-4,12-13H2,1-2H3,(H,19,21)
InChIKeyPDKDBYCBUUSBRI-UHFFFAOYSA-N
MW410.52 g/mol
LogP2.50
Rot. Bonds9

About [2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-thiophen-2-ylacetate

[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-thiophen-2-ylacetate (PubChem CID 7799225) has the molecular formula C18H22N2O5S2 and a molecular weight of 410.52 g/mol. Its IUPAC name is [2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-thiophen-2-ylacetate.

Molecular Properties

Compound Name[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-thiophen-2-ylacetate
PubChem CID7799225
Molecular FormulaC18H22N2O5S2
Molecular Weight410.52 g/mol
Exact Mass410.10
IUPAC Name[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-thiophen-2-ylacetate
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)COC(=O)Cc2cccs2)cc1
InChIInChI=1S/C18H22N2O5S2/c1-3-20(4-2)27(23,24)16-9-7-14(8-10-16)19-17(21)13-25-18(22)12-15-6-5-11-26-15/h5-11H,3-4,12-13H2,1-2H3,(H,19,21)
InChIKeyPDKDBYCBUUSBRI-UHFFFAOYSA-N
XLogP2.50
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-thiophen-2-ylacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-thiophen-2-ylacetate?
The IUPAC name of [2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-thiophen-2-ylacetate (CID 7799225) is [2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-thiophen-2-ylacetate.
What is the SMILES notation for [2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-thiophen-2-ylacetate?
The canonical SMILES for [2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-thiophen-2-ylacetate is CCN(CC)S(=O)(=O)c1ccc(NC(=O)COC(=O)Cc2cccs2)cc1.
What is the InChIKey of [2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-thiophen-2-ylacetate?
The InChIKey is PDKDBYCBUUSBRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O5S2/c1-3-20(4-2)27(23,24)16-9-7-14(8-10-16)19-17(21)13-25-18(22)12-15-6-5-11-26-15/h5-11H,3-4,12-13H2,1-2H3,(H,19,21).
What are the key properties of [2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-thiophen-2-ylacetate?
[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-thiophen-2-ylacetate has a molecular weight of 410.52 g/mol, XLogP of 2.50, 9 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-thiophen-2-ylacetate is sourced from PubChem (CID 7799225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).