3-methyl-5-(1-thiophen-2-ylpropan-2-ylsulfamoyl)thiophene-2-carboxylic acid

C13H15NO4S3 — CID 43708771

IUPAC3-methyl-5-(1-thiophen-2-ylpropan-2-ylsulfamoyl)thiophene-2-carboxylic acid
SMILESCc1cc(S(=O)(=O)NC(C)Cc2cccs2)sc1C(=O)O
InChIInChI=1S/C13H15NO4S3/c1-8-6-11(20-12(8)13(15)16)21(17,18)14-9(2)7-10-4-3-5-19-10/h3-6,9,14H,7H2,1-2H3,(H,15,16)
InChIKeyDWDRVMVWQNHBSO-UHFFFAOYSA-N
MW345.47 g/mol
LogP2.73
Rot. Bonds6

About 3-methyl-5-(1-thiophen-2-ylpropan-2-ylsulfamoyl)thiophene-2-carboxylic acid

3-methyl-5-(1-thiophen-2-ylpropan-2-ylsulfamoyl)thiophene-2-carboxylic acid (PubChem CID 43708771) has the molecular formula C13H15NO4S3 and a molecular weight of 345.47 g/mol. Its IUPAC name is 3-methyl-5-(1-thiophen-2-ylpropan-2-ylsulfamoyl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-methyl-5-(1-thiophen-2-ylpropan-2-ylsulfamoyl)thiophene-2-carboxylic acid
PubChem CID43708771
Molecular FormulaC13H15NO4S3
Molecular Weight345.47 g/mol
Exact Mass345.02
IUPAC Name3-methyl-5-(1-thiophen-2-ylpropan-2-ylsulfamoyl)thiophene-2-carboxylic acid
SMILESCc1cc(S(=O)(=O)NC(C)Cc2cccs2)sc1C(=O)O
InChIInChI=1S/C13H15NO4S3/c1-8-6-11(20-12(8)13(15)16)21(17,18)14-9(2)7-10-4-3-5-19-10/h3-6,9,14H,7H2,1-2H3,(H,15,16)
InChIKeyDWDRVMVWQNHBSO-UHFFFAOYSA-N
XLogP2.73
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-methyl-5-(1-thiophen-2-ylpropan-2-ylsulfamoyl)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

3-methyl-5-(propan-2-ylsulfamoyl)thiophene-2-carboxylic acid
CID 43314392
5-bromo-4-(1-thiophen-2-ylpropan-2-ylsulfamoyl)furan-2-carboxylic acid
CID 62830912
4-amino-2-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide
CID 63291367
3-methyl-5-[[1-oxo-1-(propylamino)propan-2-yl]sulfamoyl]thiophene-2-carboxylic acid
CID 43706036
5-(1-cyclopropylethylsulfamoyl)-3-methylthiophene-2-carboxylic acid
CID 43533409
2-amino-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide
CID 55173103
5-(benzylsulfamoyl)-3-methylthiophene-2-carboxylic acid
CID 43314482
3-methyl-5-(2-methylpropoxysulfamoyl)thiophene-2-carboxylic acid
CID 82706091
3-methyl-5-[(3-methyl-2-propan-2-ylbutyl)sulfamoyl]thiophene-2-carboxylic acid
CID 102903686
5-[(1-ethoxy-3-methylbutan-2-yl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 103223773
4-(aminomethyl)-2,5-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)furan-3-sulfonamide
CID 106004118
2-hydroxy-N-(1-thiophen-2-ylpropan-2-yl)ethanesulfonamide
CID 79578342

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(1-thiophen-2-ylpropan-2-ylsulfamoyl)thiophene-2-carboxylic acid?
The IUPAC name of 3-methyl-5-(1-thiophen-2-ylpropan-2-ylsulfamoyl)thiophene-2-carboxylic acid (CID 43708771) is 3-methyl-5-(1-thiophen-2-ylpropan-2-ylsulfamoyl)thiophene-2-carboxylic acid.
What is the SMILES notation for 3-methyl-5-(1-thiophen-2-ylpropan-2-ylsulfamoyl)thiophene-2-carboxylic acid?
The canonical SMILES for 3-methyl-5-(1-thiophen-2-ylpropan-2-ylsulfamoyl)thiophene-2-carboxylic acid is Cc1cc(S(=O)(=O)NC(C)Cc2cccs2)sc1C(=O)O.
What is the InChIKey of 3-methyl-5-(1-thiophen-2-ylpropan-2-ylsulfamoyl)thiophene-2-carboxylic acid?
The InChIKey is DWDRVMVWQNHBSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO4S3/c1-8-6-11(20-12(8)13(15)16)21(17,18)14-9(2)7-10-4-3-5-19-10/h3-6,9,14H,7H2,1-2H3,(H,15,16).
What are the key properties of 3-methyl-5-(1-thiophen-2-ylpropan-2-ylsulfamoyl)thiophene-2-carboxylic acid?
3-methyl-5-(1-thiophen-2-ylpropan-2-ylsulfamoyl)thiophene-2-carboxylic acid has a molecular weight of 345.47 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(1-thiophen-2-ylpropan-2-ylsulfamoyl)thiophene-2-carboxylic acid is sourced from PubChem (CID 43708771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).