4-[ethyl(pyridin-4-ylmethyl)sulfamoyl]thiophene-2-carboxylic acid

C13H14N2O4S2 — CID 63618317

IUPAC4-[ethyl(pyridin-4-ylmethyl)sulfamoyl]thiophene-2-carboxylic acid
SMILESCCN(Cc1ccncc1)S(=O)(=O)c1csc(C(=O)O)c1
InChIInChI=1S/C13H14N2O4S2/c1-2-15(8-10-3-5-14-6-4-10)21(18,19)11-7-12(13(16)17)20-9-11/h3-7,9H,2,8H2,1H3,(H,16,17)
InChIKeyOIUGZCYLGFVWQY-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.05
Rot. Bonds6

About 4-[ethyl(pyridin-4-ylmethyl)sulfamoyl]thiophene-2-carboxylic acid

4-[ethyl(pyridin-4-ylmethyl)sulfamoyl]thiophene-2-carboxylic acid (PubChem CID 63618317) has the molecular formula C13H14N2O4S2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 4-[ethyl(pyridin-4-ylmethyl)sulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-[ethyl(pyridin-4-ylmethyl)sulfamoyl]thiophene-2-carboxylic acid
PubChem CID63618317
Molecular FormulaC13H14N2O4S2
Molecular Weight326.40 g/mol
Exact Mass326.04
IUPAC Name4-[ethyl(pyridin-4-ylmethyl)sulfamoyl]thiophene-2-carboxylic acid
SMILESCCN(Cc1ccncc1)S(=O)(=O)c1csc(C(=O)O)c1
InChIInChI=1S/C13H14N2O4S2/c1-2-15(8-10-3-5-14-6-4-10)21(18,19)11-7-12(13(16)17)20-9-11/h3-7,9H,2,8H2,1H3,(H,16,17)
InChIKeyOIUGZCYLGFVWQY-UHFFFAOYSA-N
XLogP2.05
TPSA87.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[ethyl(pyridin-4-ylmethyl)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-[ethyl(pyridin-4-ylmethyl)sulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 4-[ethyl(pyridin-4-ylmethyl)sulfamoyl]thiophene-2-carboxylic acid (CID 63618317) is 4-[ethyl(pyridin-4-ylmethyl)sulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 4-[ethyl(pyridin-4-ylmethyl)sulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 4-[ethyl(pyridin-4-ylmethyl)sulfamoyl]thiophene-2-carboxylic acid is CCN(Cc1ccncc1)S(=O)(=O)c1csc(C(=O)O)c1.
What is the InChIKey of 4-[ethyl(pyridin-4-ylmethyl)sulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is OIUGZCYLGFVWQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4S2/c1-2-15(8-10-3-5-14-6-4-10)21(18,19)11-7-12(13(16)17)20-9-11/h3-7,9H,2,8H2,1H3,(H,16,17).
What are the key properties of 4-[ethyl(pyridin-4-ylmethyl)sulfamoyl]thiophene-2-carboxylic acid?
4-[ethyl(pyridin-4-ylmethyl)sulfamoyl]thiophene-2-carboxylic acid has a molecular weight of 326.40 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(pyridin-4-ylmethyl)sulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 63618317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).