4-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methylsulfamoyl]thiophene-2-carboxylic acid

C11H12N2O5S2 — CID 102748617

IUPAC4-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methylsulfamoyl]thiophene-2-carboxylic acid
SMILESCc1cc(CNS(=O)(=O)c2c(C)csc2C(=O)O)on1
InChIInChI=1S/C11H12N2O5S2/c1-6-5-19-9(11(14)15)10(6)20(16,17)12-4-8-3-7(2)13-18-8/h3,5,12H,4H2,1-2H3,(H,14,15)
InChIKeyWDVPGMIWDQOGLQ-UHFFFAOYSA-N
MW316.36 g/mol
LogP1.53
Rot. Bonds5

About 4-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methylsulfamoyl]thiophene-2-carboxylic acid

4-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methylsulfamoyl]thiophene-2-carboxylic acid (PubChem CID 102748617) has the molecular formula C11H12N2O5S2 and a molecular weight of 316.36 g/mol. Its IUPAC name is 4-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methylsulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methylsulfamoyl]thiophene-2-carboxylic acid
PubChem CID102748617
Molecular FormulaC11H12N2O5S2
Molecular Weight316.36 g/mol
Exact Mass316.02
IUPAC Name4-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methylsulfamoyl]thiophene-2-carboxylic acid
SMILESCc1cc(CNS(=O)(=O)c2c(C)csc2C(=O)O)on1
InChIInChI=1S/C11H12N2O5S2/c1-6-5-19-9(11(14)15)10(6)20(16,17)12-4-8-3-7(2)13-18-8/h3,5,12H,4H2,1-2H3,(H,14,15)
InChIKeyWDVPGMIWDQOGLQ-UHFFFAOYSA-N
XLogP1.53
TPSA109.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methylsulfamoyl]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

4-methyl-3-[(4-methyl-1,3-thiazol-2-yl)methylsulfamoyl]thiophene-2-carboxylic acid
CID 102748450
2,6-dimethyl-4-(methylamino)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzenesulfonamide
CID 107328831
4-methyl-3-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)thiophene-2-carboxylic acid
CID 102748428
4-methyl-3-[(3-methyl-2-propan-2-ylbutyl)sulfamoyl]thiophene-2-carboxylic acid
CID 102903671
4-methyl-3-[(1-methylpyrrol-3-yl)methylsulfamoyl]thiophene-2-carboxylic acid
CID 106390612
3-(2-carbamoyloxyethylsulfamoyl)-4-methylthiophene-2-carboxylic acid
CID 102749185
4-methyl-3-(3-methylsulfinylpropylsulfamoyl)thiophene-2-carboxylic acid
CID 102749301
N-methyl-4-[(3-methyl-1,2-oxazol-5-yl)methylsulfamoyl]benzamide
CID 48944724
4-methyl-3-(thian-2-ylmethylsulfamoyl)thiophene-2-carboxylic acid
CID 102749042
3-[2-(cyclopropanecarbonylamino)ethylsulfamoyl]-4-methylthiophene-2-carboxylic acid
CID 102749291
5-[(dimethylsulfamoylamino)methyl]-3-methyl-1,2-oxazole
CID 48944715
3-[(3-hydroxy-4-methoxybutyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid
CID 106244525

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methylsulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 4-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methylsulfamoyl]thiophene-2-carboxylic acid (CID 102748617) is 4-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methylsulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 4-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methylsulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 4-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methylsulfamoyl]thiophene-2-carboxylic acid is Cc1cc(CNS(=O)(=O)c2c(C)csc2C(=O)O)on1.
What is the InChIKey of 4-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methylsulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is WDVPGMIWDQOGLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O5S2/c1-6-5-19-9(11(14)15)10(6)20(16,17)12-4-8-3-7(2)13-18-8/h3,5,12H,4H2,1-2H3,(H,14,15).
What are the key properties of 4-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methylsulfamoyl]thiophene-2-carboxylic acid?
4-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methylsulfamoyl]thiophene-2-carboxylic acid has a molecular weight of 316.36 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methylsulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 102748617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).