5-(benzylsulfamoyl)-4-methoxycarbonyl-3-methylthiophene-2-carboxylic acid

C15H15NO6S2 — CID 2412324

IUPAC5-(benzylsulfamoyl)-4-methoxycarbonyl-3-methylthiophene-2-carboxylic acid
SMILESCOC(=O)c1c(S(=O)(=O)NCc2ccccc2)sc(C(=O)O)c1C
InChIInChI=1S/C15H15NO6S2/c1-9-11(14(19)22-2)15(23-12(9)13(17)18)24(20,21)16-8-10-6-4-3-5-7-10/h3-7,16H,8H2,1-2H3,(H,17,18)
InChIKeyWTMXHYLCQYXPDX-UHFFFAOYSA-N
MW369.42 g/mol
LogP2.02
Rot. Bonds6

About 5-(benzylsulfamoyl)-4-methoxycarbonyl-3-methylthiophene-2-carboxylic acid

5-(benzylsulfamoyl)-4-methoxycarbonyl-3-methylthiophene-2-carboxylic acid (PubChem CID 2412324) has the molecular formula C15H15NO6S2 and a molecular weight of 369.42 g/mol. Its IUPAC name is 5-(benzylsulfamoyl)-4-methoxycarbonyl-3-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-(benzylsulfamoyl)-4-methoxycarbonyl-3-methylthiophene-2-carboxylic acid
PubChem CID2412324
Molecular FormulaC15H15NO6S2
Molecular Weight369.42 g/mol
Exact Mass369.03
IUPAC Name5-(benzylsulfamoyl)-4-methoxycarbonyl-3-methylthiophene-2-carboxylic acid
SMILESCOC(=O)c1c(S(=O)(=O)NCc2ccccc2)sc(C(=O)O)c1C
InChIInChI=1S/C15H15NO6S2/c1-9-11(14(19)22-2)15(23-12(9)13(17)18)24(20,21)16-8-10-6-4-3-5-7-10/h3-7,16H,8H2,1-2H3,(H,17,18)
InChIKeyWTMXHYLCQYXPDX-UHFFFAOYSA-N
XLogP2.02
TPSA109.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-(benzylsulfamoyl)-4-methoxycarbonyl-3-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

Frequently Asked Questions

What is the IUPAC name of 5-(benzylsulfamoyl)-4-methoxycarbonyl-3-methylthiophene-2-carboxylic acid?
The IUPAC name of 5-(benzylsulfamoyl)-4-methoxycarbonyl-3-methylthiophene-2-carboxylic acid (CID 2412324) is 5-(benzylsulfamoyl)-4-methoxycarbonyl-3-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 5-(benzylsulfamoyl)-4-methoxycarbonyl-3-methylthiophene-2-carboxylic acid?
The canonical SMILES for 5-(benzylsulfamoyl)-4-methoxycarbonyl-3-methylthiophene-2-carboxylic acid is COC(=O)c1c(S(=O)(=O)NCc2ccccc2)sc(C(=O)O)c1C.
What is the InChIKey of 5-(benzylsulfamoyl)-4-methoxycarbonyl-3-methylthiophene-2-carboxylic acid?
The InChIKey is WTMXHYLCQYXPDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO6S2/c1-9-11(14(19)22-2)15(23-12(9)13(17)18)24(20,21)16-8-10-6-4-3-5-7-10/h3-7,16H,8H2,1-2H3,(H,17,18).
What are the key properties of 5-(benzylsulfamoyl)-4-methoxycarbonyl-3-methylthiophene-2-carboxylic acid?
5-(benzylsulfamoyl)-4-methoxycarbonyl-3-methylthiophene-2-carboxylic acid has a molecular weight of 369.42 g/mol, XLogP of 2.02, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzylsulfamoyl)-4-methoxycarbonyl-3-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 2412324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).