dimethyl 5-[(3,4-dimethylphenyl)sulfamoyl]-3-methylthiophene-2,4-dicarboxylate

C17H19NO6S2 — CID 2943684

IUPACdimethyl 5-[(3,4-dimethylphenyl)sulfamoyl]-3-methylthiophene-2,4-dicarboxylate
SMILESCOC(=O)c1sc(S(=O)(=O)Nc2ccc(C)c(C)c2)c(C(=O)OC)c1C
InChIInChI=1S/C17H19NO6S2/c1-9-6-7-12(8-10(9)2)18-26(21,22)17-13(15(19)23-4)11(3)14(25-17)16(20)24-5/h6-8,18H,1-5H3
InChIKeyWCDNEIJBGKEOTO-UHFFFAOYSA-N
MW397.47 g/mol
LogP3.05
Rot. Bonds5

About dimethyl 5-[(3,4-dimethylphenyl)sulfamoyl]-3-methylthiophene-2,4-dicarboxylate

dimethyl 5-[(3,4-dimethylphenyl)sulfamoyl]-3-methylthiophene-2,4-dicarboxylate (PubChem CID 2943684) has the molecular formula C17H19NO6S2 and a molecular weight of 397.47 g/mol. Its IUPAC name is dimethyl 5-[(3,4-dimethylphenyl)sulfamoyl]-3-methylthiophene-2,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl 5-[(3,4-dimethylphenyl)sulfamoyl]-3-methylthiophene-2,4-dicarboxylate
PubChem CID2943684
Molecular FormulaC17H19NO6S2
Molecular Weight397.47 g/mol
Exact Mass397.07
IUPAC Namedimethyl 5-[(3,4-dimethylphenyl)sulfamoyl]-3-methylthiophene-2,4-dicarboxylate
SMILESCOC(=O)c1sc(S(=O)(=O)Nc2ccc(C)c(C)c2)c(C(=O)OC)c1C
InChIInChI=1S/C17H19NO6S2/c1-9-6-7-12(8-10(9)2)18-26(21,22)17-13(15(19)23-4)11(3)14(25-17)16(20)24-5/h6-8,18H,1-5H3
InChIKeyWCDNEIJBGKEOTO-UHFFFAOYSA-N
XLogP3.05
TPSA98.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.47
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze dimethyl 5-[(3,4-dimethylphenyl)sulfamoyl]-3-methylthiophene-2,4-dicarboxylate 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 dimethyl 5-[(3,4-dimethylphenyl)sulfamoyl]-3-methylthiophene-2,4-dicarboxylate?
The IUPAC name of dimethyl 5-[(3,4-dimethylphenyl)sulfamoyl]-3-methylthiophene-2,4-dicarboxylate (CID 2943684) is dimethyl 5-[(3,4-dimethylphenyl)sulfamoyl]-3-methylthiophene-2,4-dicarboxylate.
What is the SMILES notation for dimethyl 5-[(3,4-dimethylphenyl)sulfamoyl]-3-methylthiophene-2,4-dicarboxylate?
The canonical SMILES for dimethyl 5-[(3,4-dimethylphenyl)sulfamoyl]-3-methylthiophene-2,4-dicarboxylate is COC(=O)c1sc(S(=O)(=O)Nc2ccc(C)c(C)c2)c(C(=O)OC)c1C.
What is the InChIKey of dimethyl 5-[(3,4-dimethylphenyl)sulfamoyl]-3-methylthiophene-2,4-dicarboxylate?
The InChIKey is WCDNEIJBGKEOTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO6S2/c1-9-6-7-12(8-10(9)2)18-26(21,22)17-13(15(19)23-4)11(3)14(25-17)16(20)24-5/h6-8,18H,1-5H3.
What are the key properties of dimethyl 5-[(3,4-dimethylphenyl)sulfamoyl]-3-methylthiophene-2,4-dicarboxylate?
dimethyl 5-[(3,4-dimethylphenyl)sulfamoyl]-3-methylthiophene-2,4-dicarboxylate has a molecular weight of 397.47 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 5-[(3,4-dimethylphenyl)sulfamoyl]-3-methylthiophene-2,4-dicarboxylate is sourced from PubChem (CID 2943684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).