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

C13H15NO4S3 — CID 45298794

IUPAC2-[5-[ethyl(thiophen-2-ylmethyl)sulfamoyl]thiophen-2-yl]acetic acid
SMILESCCN(Cc1cccs1)S(=O)(=O)c1ccc(CC(=O)O)s1
InChIInChI=1S/C13H15NO4S3/c1-2-14(9-11-4-3-7-19-11)21(17,18)13-6-5-10(20-13)8-12(15)16/h3-7H,2,8-9H2,1H3,(H,15,16)
InChIKeyIKNQSXFEEGRBDD-UHFFFAOYSA-N
MW345.47 g/mol
LogP2.65
Rot. Bonds7

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

2-[5-[ethyl(thiophen-2-ylmethyl)sulfamoyl]thiophen-2-yl]acetic acid (PubChem CID 45298794) has the molecular formula C13H15NO4S3 and a molecular weight of 345.47 g/mol. Its IUPAC name is 2-[5-[ethyl(thiophen-2-ylmethyl)sulfamoyl]thiophen-2-yl]acetic acid.

Molecular Properties

Compound Name2-[5-[ethyl(thiophen-2-ylmethyl)sulfamoyl]thiophen-2-yl]acetic acid
PubChem CID45298794
Molecular FormulaC13H15NO4S3
Molecular Weight345.47 g/mol
Exact Mass345.02
IUPAC Name2-[5-[ethyl(thiophen-2-ylmethyl)sulfamoyl]thiophen-2-yl]acetic acid
SMILESCCN(Cc1cccs1)S(=O)(=O)c1ccc(CC(=O)O)s1
InChIInChI=1S/C13H15NO4S3/c1-2-14(9-11-4-3-7-19-11)21(17,18)13-6-5-10(20-13)8-12(15)16/h3-7H,2,8-9H2,1H3,(H,15,16)
InChIKeyIKNQSXFEEGRBDD-UHFFFAOYSA-N
XLogP2.65
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[5-[ethyl(thiophen-2-ylmethyl)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-[benzyl(ethyl)sulfamoyl]thiophen-2-yl]acetic acid
CID 45297292
2-[5-[methyl(2-thiophen-2-ylethyl)sulfamoyl]thiophen-2-yl]acetic acid
CID 79488468
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-chloro-N-ethyl-N-(thiophen-2-ylmethyl)-1,3-thiazole-5-sulfonamide
CID 61042679
N-ethyl-4-hydroxy-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 61437625
N-ethyl-N-(thiophen-2-ylmethyl)methanesulfonamide
CID 60681457
2-[5-[ethyl(pyridin-4-yl)sulfamoyl]thiophen-2-yl]acetic acid
CID 104656493
N-[4-[ethyl(thiophen-2-ylmethyl)sulfamoyl]phenyl]acetamide
CID 30171646
4-[ethyl(thiophen-2-ylmethyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 60951972
4-N-ethyl-4-N-(thiophen-2-ylmethyl)benzene-1,4-disulfonamide
CID 26530442
N-ethyl-2-hydrazinyl-N-(thiophen-2-ylmethyl)pyrimidine-5-sulfonamide
CID 61438022

Frequently Asked Questions

What is the IUPAC name of 2-[5-[ethyl(thiophen-2-ylmethyl)sulfamoyl]thiophen-2-yl]acetic acid?
The IUPAC name of 2-[5-[ethyl(thiophen-2-ylmethyl)sulfamoyl]thiophen-2-yl]acetic acid (CID 45298794) is 2-[5-[ethyl(thiophen-2-ylmethyl)sulfamoyl]thiophen-2-yl]acetic acid.
What is the SMILES notation for 2-[5-[ethyl(thiophen-2-ylmethyl)sulfamoyl]thiophen-2-yl]acetic acid?
The canonical SMILES for 2-[5-[ethyl(thiophen-2-ylmethyl)sulfamoyl]thiophen-2-yl]acetic acid is CCN(Cc1cccs1)S(=O)(=O)c1ccc(CC(=O)O)s1.
What is the InChIKey of 2-[5-[ethyl(thiophen-2-ylmethyl)sulfamoyl]thiophen-2-yl]acetic acid?
The InChIKey is IKNQSXFEEGRBDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO4S3/c1-2-14(9-11-4-3-7-19-11)21(17,18)13-6-5-10(20-13)8-12(15)16/h3-7H,2,8-9H2,1H3,(H,15,16).
What are the key properties of 2-[5-[ethyl(thiophen-2-ylmethyl)sulfamoyl]thiophen-2-yl]acetic acid?
2-[5-[ethyl(thiophen-2-ylmethyl)sulfamoyl]thiophen-2-yl]acetic acid has a molecular weight of 345.47 g/mol, XLogP of 2.65, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[ethyl(thiophen-2-ylmethyl)sulfamoyl]thiophen-2-yl]acetic acid is sourced from PubChem (CID 45298794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).