4-[(4-ethylcyclohexyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid

C14H21NO4S2 — CID 63329133

IUPAC4-[(4-ethylcyclohexyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid
SMILESCCC1CCC(NS(=O)(=O)c2cc(C(=O)O)sc2C)CC1
InChIInChI=1S/C14H21NO4S2/c1-3-10-4-6-11(7-5-10)15-21(18,19)13-8-12(14(16)17)20-9(13)2/h8,10-11,15H,3-7H2,1-2H3,(H,16,17)
InChIKeyYEEVZOHCXGFZHA-UHFFFAOYSA-N
MW331.46 g/mol
LogP3.00
Rot. Bonds5

About 4-[(4-ethylcyclohexyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid

4-[(4-ethylcyclohexyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid (PubChem CID 63329133) has the molecular formula C14H21NO4S2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 4-[(4-ethylcyclohexyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-[(4-ethylcyclohexyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid
PubChem CID63329133
Molecular FormulaC14H21NO4S2
Molecular Weight331.46 g/mol
Exact Mass331.09
IUPAC Name4-[(4-ethylcyclohexyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid
SMILESCCC1CCC(NS(=O)(=O)c2cc(C(=O)O)sc2C)CC1
InChIInChI=1S/C14H21NO4S2/c1-3-10-4-6-11(7-5-10)15-21(18,19)13-8-12(14(16)17)20-9(13)2/h8,10-11,15H,3-7H2,1-2H3,(H,16,17)
InChIKeyYEEVZOHCXGFZHA-UHFFFAOYSA-N
XLogP3.00
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[(4-ethylcyclohexyl)sulfamoyl]-5-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

4-(cyclobutylsulfamoyl)-5-methylthiophene-2-carboxylic acid
CID 63329014
5-methyl-4-(oxolan-3-ylsulfamoyl)thiophene-2-carboxylic acid
CID 80716792
5-(aminomethyl)-N-(4-ethylcyclohexyl)-2-methylthiophene-3-sulfonamide
CID 106053111
4-(1-cyclopropylbutan-2-ylsulfamoyl)-5-methylthiophene-2-carboxylic acid
CID 63994247
4-[(4-hydroxycyclohexyl)methylsulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 106120685
4-(cyclohexylmethylsulfamoyl)-5-methylthiophene-2-carboxylic acid
CID 63328331
4-(cyclohexylsulfamoyl)-5-methylthiophene-2-carboxamide
CID 6502872
4-(cycloheptylsulfamoyl)-5-methylthiophene-2-carboxamide
CID 6502898
4-[(1-benzylpiperidin-3-yl)sulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 113239305
4-[cyclopropylmethyl(methyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 55200554
4-(1-cyclopropylethylsulfamoyl)-5-methylthiophene-2-carboxylic acid
CID 55203054
3-[(4-ethylcyclohexyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid
CID 102748547

Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethylcyclohexyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid?
The IUPAC name of 4-[(4-ethylcyclohexyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid (CID 63329133) is 4-[(4-ethylcyclohexyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 4-[(4-ethylcyclohexyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid?
The canonical SMILES for 4-[(4-ethylcyclohexyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid is CCC1CCC(NS(=O)(=O)c2cc(C(=O)O)sc2C)CC1.
What is the InChIKey of 4-[(4-ethylcyclohexyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid?
The InChIKey is YEEVZOHCXGFZHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4S2/c1-3-10-4-6-11(7-5-10)15-21(18,19)13-8-12(14(16)17)20-9(13)2/h8,10-11,15H,3-7H2,1-2H3,(H,16,17).
What are the key properties of 4-[(4-ethylcyclohexyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid?
4-[(4-ethylcyclohexyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid has a molecular weight of 331.46 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethylcyclohexyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 63329133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).