5-methyl-4-[(4-methylphenyl)methylsulfamoyl]thiophene-2-carboxylic acid

C14H15NO4S2 — CID 63328239

IUPAC5-methyl-4-[(4-methylphenyl)methylsulfamoyl]thiophene-2-carboxylic acid
SMILESCc1ccc(CNS(=O)(=O)c2cc(C(=O)O)sc2C)cc1
InChIInChI=1S/C14H15NO4S2/c1-9-3-5-11(6-4-9)8-15-21(18,19)13-7-12(14(16)17)20-10(13)2/h3-7,15H,8H2,1-2H3,(H,16,17)
InChIKeyYDTGDUMQKRPJDC-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.54
Rot. Bonds5

About 5-methyl-4-[(4-methylphenyl)methylsulfamoyl]thiophene-2-carboxylic acid

5-methyl-4-[(4-methylphenyl)methylsulfamoyl]thiophene-2-carboxylic acid (PubChem CID 63328239) has the molecular formula C14H15NO4S2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 5-methyl-4-[(4-methylphenyl)methylsulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-methyl-4-[(4-methylphenyl)methylsulfamoyl]thiophene-2-carboxylic acid
PubChem CID63328239
Molecular FormulaC14H15NO4S2
Molecular Weight325.41 g/mol
Exact Mass325.04
IUPAC Name5-methyl-4-[(4-methylphenyl)methylsulfamoyl]thiophene-2-carboxylic acid
SMILESCc1ccc(CNS(=O)(=O)c2cc(C(=O)O)sc2C)cc1
InChIInChI=1S/C14H15NO4S2/c1-9-3-5-11(6-4-9)8-15-21(18,19)13-7-12(14(16)17)20-10(13)2/h3-7,15H,8H2,1-2H3,(H,16,17)
InChIKeyYDTGDUMQKRPJDC-UHFFFAOYSA-N
XLogP2.54
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3-chlorophenyl)methylsulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 63328289
4-[(2-hydroxyphenyl)methylsulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 114331362
4-[2-(methanesulfonamido)ethylsulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 63328601
5-methyl-4-(1,3-thiazol-4-ylmethylsulfamoyl)thiophene-2-carboxylic acid
CID 55260464
5-methyl-4-(2,2,2-trifluoroethylsulfamoyl)thiophene-2-carboxylic acid
CID 63328152
5-methyl-4-[(4-methylphenyl)methylsulfamoyl]furan-2-carboxylic acid
CID 62803246
5-methyl-4-(3-methylbut-2-enylsulfamoyl)thiophene-2-carboxylic acid
CID 114155436
4-(cyclohexylmethylsulfamoyl)-5-methylthiophene-2-carboxylic acid
CID 63328331
5-methyl-4-(1,2,4-oxadiazol-3-ylmethylsulfamoyl)thiophene-2-carboxylic acid
CID 114183306
4-[(2-hydroxy-2-methylbutyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 65105337
4-[(4-hydroxycyclohexyl)methylsulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 106120685
4-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]sulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 106275781

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[(4-methylphenyl)methylsulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-methyl-4-[(4-methylphenyl)methylsulfamoyl]thiophene-2-carboxylic acid (CID 63328239) is 5-methyl-4-[(4-methylphenyl)methylsulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-methyl-4-[(4-methylphenyl)methylsulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-methyl-4-[(4-methylphenyl)methylsulfamoyl]thiophene-2-carboxylic acid is Cc1ccc(CNS(=O)(=O)c2cc(C(=O)O)sc2C)cc1.
What is the InChIKey of 5-methyl-4-[(4-methylphenyl)methylsulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is YDTGDUMQKRPJDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4S2/c1-9-3-5-11(6-4-9)8-15-21(18,19)13-7-12(14(16)17)20-10(13)2/h3-7,15H,8H2,1-2H3,(H,16,17).
What are the key properties of 5-methyl-4-[(4-methylphenyl)methylsulfamoyl]thiophene-2-carboxylic acid?
5-methyl-4-[(4-methylphenyl)methylsulfamoyl]thiophene-2-carboxylic acid has a molecular weight of 325.41 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[(4-methylphenyl)methylsulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 63328239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).