3-[1H-imidazol-2-ylmethyl(methyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid

C11H13N3O4S2 — CID 102748866

IUPAC3-[1H-imidazol-2-ylmethyl(methyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid
SMILESCc1csc(C(=O)O)c1S(=O)(=O)N(C)Cc1ncc[nH]1
InChIInChI=1S/C11H13N3O4S2/c1-7-6-19-9(11(15)16)10(7)20(17,18)14(2)5-8-12-3-4-13-8/h3-4,6H,5H2,1-2H3,(H,12,13)(H,15,16)
InChIKeyJDHUAAFCDFVABV-UHFFFAOYSA-N
MW315.38 g/mol
LogP1.30
Rot. Bonds5

About 3-[1H-imidazol-2-ylmethyl(methyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid

3-[1H-imidazol-2-ylmethyl(methyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid (PubChem CID 102748866) has the molecular formula C11H13N3O4S2 and a molecular weight of 315.38 g/mol. Its IUPAC name is 3-[1H-imidazol-2-ylmethyl(methyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[1H-imidazol-2-ylmethyl(methyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid
PubChem CID102748866
Molecular FormulaC11H13N3O4S2
Molecular Weight315.38 g/mol
Exact Mass315.03
IUPAC Name3-[1H-imidazol-2-ylmethyl(methyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid
SMILESCc1csc(C(=O)O)c1S(=O)(=O)N(C)Cc1ncc[nH]1
InChIInChI=1S/C11H13N3O4S2/c1-7-6-19-9(11(15)16)10(7)20(17,18)14(2)5-8-12-3-4-13-8/h3-4,6H,5H2,1-2H3,(H,12,13)(H,15,16)
InChIKeyJDHUAAFCDFVABV-UHFFFAOYSA-N
XLogP1.30
TPSA103.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[1H-imidazol-2-ylmethyl(methyl)sulfamoyl]-4-methylthiophene-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

Related Compounds

5-[1H-imidazol-2-ylmethyl(methyl)sulfamoyl]thiophene-3-carboxylic acid
CID 64510074
4-methyl-3-[methyl-[(3-methylthiophen-2-yl)methyl]sulfamoyl]thiophene-2-carboxylic acid
CID 102748355
N-(1H-imidazol-2-ylmethyl)-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
CID 64518245
3-[(4-methoxy-4-oxobutyl)-methylsulfamoyl]-4-methylthiophene-2-carboxylic acid
CID 102748387
3-[1H-imidazol-2-ylmethyl(methyl)sulfamoyl]-2-methylbenzoic acid
CID 64512018
3-amino-N-(1H-imidazol-2-ylmethyl)-N,2,6-trimethylbenzenesulfonamide
CID 64511956
4-acetyl-N-(1H-imidazol-2-ylmethyl)-N-methylbenzenesulfonamide
CID 64519588
2,4,6-trichloro-N-(1H-imidazol-2-ylmethyl)-N-methylbenzenesulfonamide
CID 64518046
N-(1H-imidazol-2-ylmethyl)-N,1,3,5-tetramethylpyrazole-4-sulfonamide
CID 64519581
3-[[2-(cyclopropylamino)-2-oxoethyl]-methylsulfamoyl]-4-methylthiophene-2-carboxylic acid
CID 102748081
5-amino-N-(1H-imidazol-2-ylmethyl)-N-methyl-1,3,4-thiadiazole-2-sulfonamide
CID 113383240
N-(1H-imidazol-2-ylmethyl)-N,2,5-trimethylthiophene-3-sulfonamide
CID 64517854

Frequently Asked Questions

What is the IUPAC name of 3-[1H-imidazol-2-ylmethyl(methyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid?
The IUPAC name of 3-[1H-imidazol-2-ylmethyl(methyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid (CID 102748866) is 3-[1H-imidazol-2-ylmethyl(methyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 3-[1H-imidazol-2-ylmethyl(methyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid?
The canonical SMILES for 3-[1H-imidazol-2-ylmethyl(methyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid is Cc1csc(C(=O)O)c1S(=O)(=O)N(C)Cc1ncc[nH]1.
What is the InChIKey of 3-[1H-imidazol-2-ylmethyl(methyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid?
The InChIKey is JDHUAAFCDFVABV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O4S2/c1-7-6-19-9(11(15)16)10(7)20(17,18)14(2)5-8-12-3-4-13-8/h3-4,6H,5H2,1-2H3,(H,12,13)(H,15,16).
What are the key properties of 3-[1H-imidazol-2-ylmethyl(methyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid?
3-[1H-imidazol-2-ylmethyl(methyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid has a molecular weight of 315.38 g/mol, XLogP of 1.30, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1H-imidazol-2-ylmethyl(methyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 102748866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).