3-methyl-5-(2-pyridin-2-ylpropylsulfamoyl)thiophene-2-carboxylic acid

C14H16N2O4S2 — CID 167804098

IUPAC3-methyl-5-(2-pyridin-2-ylpropylsulfamoyl)thiophene-2-carboxylic acid
SMILESCc1cc(S(=O)(=O)NCC(C)c2ccccn2)sc1C(=O)O
InChIInChI=1S/C14H16N2O4S2/c1-9-7-12(21-13(9)14(17)18)22(19,20)16-8-10(2)11-5-3-4-6-15-11/h3-7,10,16H,8H2,1-2H3,(H,17,18)
InChIKeyKUCINFGMOQTHLJ-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.23
Rot. Bonds6

About 3-methyl-5-(2-pyridin-2-ylpropylsulfamoyl)thiophene-2-carboxylic acid

3-methyl-5-(2-pyridin-2-ylpropylsulfamoyl)thiophene-2-carboxylic acid (PubChem CID 167804098) has the molecular formula C14H16N2O4S2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 3-methyl-5-(2-pyridin-2-ylpropylsulfamoyl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-methyl-5-(2-pyridin-2-ylpropylsulfamoyl)thiophene-2-carboxylic acid
PubChem CID167804098
Molecular FormulaC14H16N2O4S2
Molecular Weight340.43 g/mol
Exact Mass340.06
IUPAC Name3-methyl-5-(2-pyridin-2-ylpropylsulfamoyl)thiophene-2-carboxylic acid
SMILESCc1cc(S(=O)(=O)NCC(C)c2ccccn2)sc1C(=O)O
InChIInChI=1S/C14H16N2O4S2/c1-9-7-12(21-13(9)14(17)18)22(19,20)16-8-10(2)11-5-3-4-6-15-11/h3-7,10,16H,8H2,1-2H3,(H,17,18)
InChIKeyKUCINFGMOQTHLJ-UHFFFAOYSA-N
XLogP2.23
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-methyl-5-(2-pyridin-2-ylpropylsulfamoyl)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

Related Compounds

5-(2,3-dihydroxypropylsulfamoyl)-3-methylthiophene-2-carboxylic acid
CID 66170587
5-[(2-cyclopropyl-2-hydroxyethyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 63296460
3-methyl-5-(propan-2-ylsulfamoyl)thiophene-2-carboxylic acid
CID 43314392
3-methyl-5-(2-methylpropoxysulfamoyl)thiophene-2-carboxylic acid
CID 82706091
3-methyl-5-(5-methylhexylsulfamoyl)thiophene-2-carboxylic acid
CID 115325049
3-methyl-5-(prop-2-ynylsulfamoyl)thiophene-2-carboxylic acid
CID 43314508
3-methyl-5-[(3-methyl-4-pyridinyl)methylsulfamoyl]thiophene-2-carboxylic acid
CID 114698528
5-[(4-hydroxyphenyl)methylsulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 114331333
5-[(5-ethylthiophen-2-yl)methylsulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 104654476
5-[2-(dimethylamino)ethylsulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 43314407
5-[(4-amino-4-oxobutyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 60863201
5-(2-cyanoethylsulfamoyl)-3-methylthiophene-2-carboxylic acid
CID 55102481

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(2-pyridin-2-ylpropylsulfamoyl)thiophene-2-carboxylic acid?
The IUPAC name of 3-methyl-5-(2-pyridin-2-ylpropylsulfamoyl)thiophene-2-carboxylic acid (CID 167804098) is 3-methyl-5-(2-pyridin-2-ylpropylsulfamoyl)thiophene-2-carboxylic acid.
What is the SMILES notation for 3-methyl-5-(2-pyridin-2-ylpropylsulfamoyl)thiophene-2-carboxylic acid?
The canonical SMILES for 3-methyl-5-(2-pyridin-2-ylpropylsulfamoyl)thiophene-2-carboxylic acid is Cc1cc(S(=O)(=O)NCC(C)c2ccccn2)sc1C(=O)O.
What is the InChIKey of 3-methyl-5-(2-pyridin-2-ylpropylsulfamoyl)thiophene-2-carboxylic acid?
The InChIKey is KUCINFGMOQTHLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4S2/c1-9-7-12(21-13(9)14(17)18)22(19,20)16-8-10(2)11-5-3-4-6-15-11/h3-7,10,16H,8H2,1-2H3,(H,17,18).
What are the key properties of 3-methyl-5-(2-pyridin-2-ylpropylsulfamoyl)thiophene-2-carboxylic acid?
3-methyl-5-(2-pyridin-2-ylpropylsulfamoyl)thiophene-2-carboxylic acid has a molecular weight of 340.43 g/mol, XLogP of 2.23, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(2-pyridin-2-ylpropylsulfamoyl)thiophene-2-carboxylic acid is sourced from PubChem (CID 167804098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).