4-[2-cyanoethyl(2-methoxyethyl)sulfamoyl]thiophene-2-carboxylic acid

C11H14N2O5S2 — CID 63618347

IUPAC4-[2-cyanoethyl(2-methoxyethyl)sulfamoyl]thiophene-2-carboxylic acid
SMILESCOCCN(CCC#N)S(=O)(=O)c1csc(C(=O)O)c1
InChIInChI=1S/C11H14N2O5S2/c1-18-6-5-13(4-2-3-12)20(16,17)9-7-10(11(14)15)19-8-9/h7-8H,2,4-6H2,1H3,(H,14,15)
InChIKeyOXVKRYRCZZLEAC-UHFFFAOYSA-N
MW318.38 g/mol
LogP1.00
Rot. Bonds8

About 4-[2-cyanoethyl(2-methoxyethyl)sulfamoyl]thiophene-2-carboxylic acid

4-[2-cyanoethyl(2-methoxyethyl)sulfamoyl]thiophene-2-carboxylic acid (PubChem CID 63618347) has the molecular formula C11H14N2O5S2 and a molecular weight of 318.38 g/mol. Its IUPAC name is 4-[2-cyanoethyl(2-methoxyethyl)sulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-[2-cyanoethyl(2-methoxyethyl)sulfamoyl]thiophene-2-carboxylic acid
PubChem CID63618347
Molecular FormulaC11H14N2O5S2
Molecular Weight318.38 g/mol
Exact Mass318.03
IUPAC Name4-[2-cyanoethyl(2-methoxyethyl)sulfamoyl]thiophene-2-carboxylic acid
SMILESCOCCN(CCC#N)S(=O)(=O)c1csc(C(=O)O)c1
InChIInChI=1S/C11H14N2O5S2/c1-18-6-5-13(4-2-3-12)20(16,17)9-7-10(11(14)15)19-8-9/h7-8H,2,4-6H2,1H3,(H,14,15)
InChIKeyOXVKRYRCZZLEAC-UHFFFAOYSA-N
XLogP1.00
TPSA107.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[2-cyanoethyl(2-methoxyethyl)sulfamoyl]thiophene-2-carboxylic acid 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 4-[2-cyanoethyl(2-methoxyethyl)sulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 4-[2-cyanoethyl(2-methoxyethyl)sulfamoyl]thiophene-2-carboxylic acid (CID 63618347) is 4-[2-cyanoethyl(2-methoxyethyl)sulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 4-[2-cyanoethyl(2-methoxyethyl)sulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 4-[2-cyanoethyl(2-methoxyethyl)sulfamoyl]thiophene-2-carboxylic acid is COCCN(CCC#N)S(=O)(=O)c1csc(C(=O)O)c1.
What is the InChIKey of 4-[2-cyanoethyl(2-methoxyethyl)sulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is OXVKRYRCZZLEAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O5S2/c1-18-6-5-13(4-2-3-12)20(16,17)9-7-10(11(14)15)19-8-9/h7-8H,2,4-6H2,1H3,(H,14,15).
What are the key properties of 4-[2-cyanoethyl(2-methoxyethyl)sulfamoyl]thiophene-2-carboxylic acid?
4-[2-cyanoethyl(2-methoxyethyl)sulfamoyl]thiophene-2-carboxylic acid has a molecular weight of 318.38 g/mol, XLogP of 1.00, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-cyanoethyl(2-methoxyethyl)sulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 63618347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).