2-[5-[ethyl(pyridin-4-yl)sulfamoyl]thiophen-2-yl]acetic acid

C13H14N2O4S2 — CID 104656493

IUPAC2-[5-[ethyl(pyridin-4-yl)sulfamoyl]thiophen-2-yl]acetic acid
SMILESCCN(c1ccncc1)S(=O)(=O)c1ccc(CC(=O)O)s1
InChIInChI=1S/C13H14N2O4S2/c1-2-15(10-5-7-14-8-6-10)21(18,19)13-4-3-11(20-13)9-12(16)17/h3-8H,2,9H2,1H3,(H,16,17)
InChIKeyRXOASEZLVBMHKJ-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.99
Rot. Bonds6

About 2-[5-[ethyl(pyridin-4-yl)sulfamoyl]thiophen-2-yl]acetic acid

2-[5-[ethyl(pyridin-4-yl)sulfamoyl]thiophen-2-yl]acetic acid (PubChem CID 104656493) has the molecular formula C13H14N2O4S2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 2-[5-[ethyl(pyridin-4-yl)sulfamoyl]thiophen-2-yl]acetic acid.

Molecular Properties

Compound Name2-[5-[ethyl(pyridin-4-yl)sulfamoyl]thiophen-2-yl]acetic acid
PubChem CID104656493
Molecular FormulaC13H14N2O4S2
Molecular Weight326.40 g/mol
Exact Mass326.04
IUPAC Name2-[5-[ethyl(pyridin-4-yl)sulfamoyl]thiophen-2-yl]acetic acid
SMILESCCN(c1ccncc1)S(=O)(=O)c1ccc(CC(=O)O)s1
InChIInChI=1S/C13H14N2O4S2/c1-2-15(10-5-7-14-8-6-10)21(18,19)13-4-3-11(20-13)9-12(16)17/h3-8H,2,9H2,1H3,(H,16,17)
InChIKeyRXOASEZLVBMHKJ-UHFFFAOYSA-N
XLogP1.99
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 ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[5-[ethyl(pyridin-4-yl)sulfamoyl]thiophen-2-yl]acetic acid with MolForge

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

Launch Full Analysis

Related Compounds

2-[5-[ethyl(2-methoxyethyl)sulfamoyl]thiophen-2-yl]acetic acid
CID 61384509
2-[5-[3-(dimethylamino)propyl-ethylsulfamoyl]thiophen-2-yl]acetic acid
CID 102991763
2-[5-[benzyl(ethyl)sulfamoyl]thiophen-2-yl]acetic acid
CID 45297292
2-[5-[ethyl(thiophen-2-ylmethyl)sulfamoyl]thiophen-2-yl]acetic acid
CID 45298794
N-(4-aminophenyl)-N,5-diethylthiophene-2-sulfonamide
CID 63234172
5-bromo-N-ethyl-4-methyl-N-pyridin-4-ylthiophene-2-sulfonamide
CID 103768575
2-[5-[cyclopentyl(methyl)sulfamoyl]thiophen-2-yl]acetic acid
CID 43213263
2-[5-[(2-hydroxy-2-methylpropyl)-methylsulfamoyl]thiophen-2-yl]acetic acid
CID 79386899
N-[[5-[ethyl-(4-fluorophenyl)sulfamoyl]thiophen-2-yl]methyl]acetamide
CID 55384100
2-[5-[(2-methoxy-2-oxoethyl)-propan-2-ylsulfamoyl]thiophen-2-yl]acetic acid
CID 60952459
4-[(5-chlorothiophen-2-yl)sulfonyl-ethylamino]pyridine-2-carboxylic acid
CID 5263720
2-chloro-N-ethyl-4-methyl-N-pyridin-4-yl-1,3-thiazole-5-sulfonamide
CID 103768578

Frequently Asked Questions

What is the IUPAC name of 2-[5-[ethyl(pyridin-4-yl)sulfamoyl]thiophen-2-yl]acetic acid?
The IUPAC name of 2-[5-[ethyl(pyridin-4-yl)sulfamoyl]thiophen-2-yl]acetic acid (CID 104656493) is 2-[5-[ethyl(pyridin-4-yl)sulfamoyl]thiophen-2-yl]acetic acid.
What is the SMILES notation for 2-[5-[ethyl(pyridin-4-yl)sulfamoyl]thiophen-2-yl]acetic acid?
The canonical SMILES for 2-[5-[ethyl(pyridin-4-yl)sulfamoyl]thiophen-2-yl]acetic acid is CCN(c1ccncc1)S(=O)(=O)c1ccc(CC(=O)O)s1.
What is the InChIKey of 2-[5-[ethyl(pyridin-4-yl)sulfamoyl]thiophen-2-yl]acetic acid?
The InChIKey is RXOASEZLVBMHKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4S2/c1-2-15(10-5-7-14-8-6-10)21(18,19)13-4-3-11(20-13)9-12(16)17/h3-8H,2,9H2,1H3,(H,16,17).
What are the key properties of 2-[5-[ethyl(pyridin-4-yl)sulfamoyl]thiophen-2-yl]acetic acid?
2-[5-[ethyl(pyridin-4-yl)sulfamoyl]thiophen-2-yl]acetic acid has a molecular weight of 326.40 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[ethyl(pyridin-4-yl)sulfamoyl]thiophen-2-yl]acetic acid is sourced from PubChem (CID 104656493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).