ethyl 2-(benzenesulfonamido)-4,5-dimethylthiophene-3-carboxylate

C15H17NO4S2 — CID 753229

IUPACethyl 2-(benzenesulfonamido)-4,5-dimethylthiophene-3-carboxylate
SMILESCCOC(=O)c1c(NS(=O)(=O)c2ccccc2)sc(C)c1C
InChIInChI=1S/C15H17NO4S2/c1-4-20-15(17)13-10(2)11(3)21-14(13)16-22(18,19)12-8-6-5-7-9-12/h5-9,16H,4H2,1-3H3
InChIKeyFSBAVUDDFNAOJS-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.34
Rot. Bonds5

About ethyl 2-(benzenesulfonamido)-4,5-dimethylthiophene-3-carboxylate

ethyl 2-(benzenesulfonamido)-4,5-dimethylthiophene-3-carboxylate (PubChem CID 753229) has the molecular formula C15H17NO4S2 and a molecular weight of 339.44 g/mol. Its IUPAC name is ethyl 2-(benzenesulfonamido)-4,5-dimethylthiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-(benzenesulfonamido)-4,5-dimethylthiophene-3-carboxylate
PubChem CID753229
Molecular FormulaC15H17NO4S2
Molecular Weight339.44 g/mol
Exact Mass339.06
IUPAC Nameethyl 2-(benzenesulfonamido)-4,5-dimethylthiophene-3-carboxylate
SMILESCCOC(=O)c1c(NS(=O)(=O)c2ccccc2)sc(C)c1C
InChIInChI=1S/C15H17NO4S2/c1-4-20-15(17)13-10(2)11(3)21-14(13)16-22(18,19)12-8-6-5-7-9-12/h5-9,16H,4H2,1-3H3
InChIKeyFSBAVUDDFNAOJS-UHFFFAOYSA-N
XLogP3.34
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 2-(benzenesulfonamido)-4,5-dimethylthiophene-3-carboxylate 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

Ethyl 2-amino-4-phenylthiophene-3-carboxylate
CID 73242
Ethyl 2-amino-4-methyl-5-phenylthiophene-3-carboxylate
CID 674768
ethyl 2-amino-6,6-dioxo-4H,5H,7H-6lambda6-thieno[2,3-c]thiopyran-3-carboxylate
CID 2998518
Ethyl 2-amino-5-phenylthiophene-3-carboxylate
CID 638860
Ethyl 2-amino-5-methyl-4-phenylthiophene-3-carboxylate
CID 693902
Methyl 2-[(phenylsulfonyl)amino]-3-thiophenecarboxylate
CID 1477337
Ethyl 2-amino-5-(cyanosulfanyl)-4-phenylthiophene-3-carboxylate
CID 627637
Methyl 2-amino-5-benzyl-4-methyl-3-thiophenecarboxylate
CID 621516
ethyl 2-{[(4-bromophenyl)sulfonyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 1012208
Methyl 6-methyl-2-{[(4-methylphenyl)sulfonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 4578120
Ethyl 2-amino-4-thiophen-3-ylthiophene-3-carboxylate
CID 645868
Methyl 3-[(4-methylphenyl)sulfamoyl]thiophene-2-carboxylate
CID 2808793

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(benzenesulfonamido)-4,5-dimethylthiophene-3-carboxylate?
The IUPAC name of ethyl 2-(benzenesulfonamido)-4,5-dimethylthiophene-3-carboxylate (CID 753229) is ethyl 2-(benzenesulfonamido)-4,5-dimethylthiophene-3-carboxylate.
What is the SMILES notation for ethyl 2-(benzenesulfonamido)-4,5-dimethylthiophene-3-carboxylate?
The canonical SMILES for ethyl 2-(benzenesulfonamido)-4,5-dimethylthiophene-3-carboxylate is CCOC(=O)c1c(NS(=O)(=O)c2ccccc2)sc(C)c1C.
What is the InChIKey of ethyl 2-(benzenesulfonamido)-4,5-dimethylthiophene-3-carboxylate?
The InChIKey is FSBAVUDDFNAOJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4S2/c1-4-20-15(17)13-10(2)11(3)21-14(13)16-22(18,19)12-8-6-5-7-9-12/h5-9,16H,4H2,1-3H3.
What are the key properties of ethyl 2-(benzenesulfonamido)-4,5-dimethylthiophene-3-carboxylate?
ethyl 2-(benzenesulfonamido)-4,5-dimethylthiophene-3-carboxylate has a molecular weight of 339.44 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(benzenesulfonamido)-4,5-dimethylthiophene-3-carboxylate is sourced from PubChem (CID 753229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).