3-[(4-ethylcyclohexyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid

C14H21NO4S2 — CID 102748547

IUPAC3-[(4-ethylcyclohexyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid
SMILESCCC1CCC(NS(=O)(=O)c2c(C)csc2C(=O)O)CC1
InChIInChI=1S/C14H21NO4S2/c1-3-10-4-6-11(7-5-10)15-21(18,19)13-9(2)8-20-12(13)14(16)17/h8,10-11,15H,3-7H2,1-2H3,(H,16,17)
InChIKeyKNGZSYVVIXLJLT-UHFFFAOYSA-N
MW331.46 g/mol
LogP3.00
Rot. Bonds5

About 3-[(4-ethylcyclohexyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid

3-[(4-ethylcyclohexyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid (PubChem CID 102748547) has the molecular formula C14H21NO4S2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 3-[(4-ethylcyclohexyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[(4-ethylcyclohexyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid
PubChem CID102748547
Molecular FormulaC14H21NO4S2
Molecular Weight331.46 g/mol
Exact Mass331.09
IUPAC Name3-[(4-ethylcyclohexyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid
SMILESCCC1CCC(NS(=O)(=O)c2c(C)csc2C(=O)O)CC1
InChIInChI=1S/C14H21NO4S2/c1-3-10-4-6-11(7-5-10)15-21(18,19)13-9(2)8-20-12(13)14(16)17/h8,10-11,15H,3-7H2,1-2H3,(H,16,17)
InChIKeyKNGZSYVVIXLJLT-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

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Related Compounds

3-[(4-Methylphenyl)methylsulfamoyl]thiophene-2-carboxylic acid
CID 43090749
3-[[(2R)-2-cyclopentyl-2-methoxyethyl]sulfamoyl]-4-methylthiophene-2-carboxylic acid
CID 164641840
3-[2-(4-Fluorophenyl)ethylsulfamoyl]thiophene-2-carboxylic acid
CID 43090741
3-[1-(2-Fluorophenyl)ethylsulfamoyl]thiophene-2-carboxylic acid
CID 43092974
3-[2-(2-Fluorophenyl)ethylsulfamoyl]thiophene-2-carboxylic acid
CID 43235764
3-[2-(3-Fluorophenyl)ethylsulfamoyl]thiophene-2-carboxylic acid
CID 43402895
3-[1-(3-Fluorophenyl)ethylsulfamoyl]thiophene-2-carboxylic acid
CID 60708999
3-[1-(4-Fluorophenyl)ethylsulfamoyl]thiophene-2-carboxylic acid
CID 60709017
4-[1-(4-Fluorophenyl)ethylsulfamoyl]thiophene-2-carboxylic acid
CID 61072350
4-[2-(3-Fluorophenyl)ethylsulfamoyl]thiophene-2-carboxylic acid
CID 61072508
4-[2-(4-Fluorophenyl)ethylsulfamoyl]thiophene-2-carboxylic acid
CID 61072926
4-[1-(2-Fluorophenyl)ethylsulfamoyl]thiophene-2-carboxylic acid
CID 61073418

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethylcyclohexyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid?
The IUPAC name of 3-[(4-ethylcyclohexyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid (CID 102748547) is 3-[(4-ethylcyclohexyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 3-[(4-ethylcyclohexyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid?
The canonical SMILES for 3-[(4-ethylcyclohexyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid is CCC1CCC(NS(=O)(=O)c2c(C)csc2C(=O)O)CC1.
What is the InChIKey of 3-[(4-ethylcyclohexyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid?
The InChIKey is KNGZSYVVIXLJLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4S2/c1-3-10-4-6-11(7-5-10)15-21(18,19)13-9(2)8-20-12(13)14(16)17/h8,10-11,15H,3-7H2,1-2H3,(H,16,17).
What are the key properties of 3-[(4-ethylcyclohexyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid?
3-[(4-ethylcyclohexyl)sulfamoyl]-4-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 3-[(4-ethylcyclohexyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 102748547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).