ethyl 3-[(4-fluorophenyl)sulfamoyl]-4-(4-methylphenyl)thiophene-2-carboxylate

C20H18FNO4S2 — CID 42584805

IUPACethyl 3-[(4-fluorophenyl)sulfamoyl]-4-(4-methylphenyl)thiophene-2-carboxylate
SMILESCCOC(=O)c1scc(-c2ccc(C)cc2)c1S(=O)(=O)Nc1ccc(F)cc1
InChIInChI=1S/C20H18FNO4S2/c1-3-26-20(23)18-19(17(12-27-18)14-6-4-13(2)5-7-14)28(24,25)22-16-10-8-15(21)9-11-16/h4-12,22H,3H2,1-2H3
InChIKeyQJLWSYPCLPTPDA-UHFFFAOYSA-N
MW419.50 g/mol
LogP4.84
Rot. Bonds6

About ethyl 3-[(4-fluorophenyl)sulfamoyl]-4-(4-methylphenyl)thiophene-2-carboxylate

ethyl 3-[(4-fluorophenyl)sulfamoyl]-4-(4-methylphenyl)thiophene-2-carboxylate (PubChem CID 42584805) has the molecular formula C20H18FNO4S2 and a molecular weight of 419.50 g/mol. Its IUPAC name is ethyl 3-[(4-fluorophenyl)sulfamoyl]-4-(4-methylphenyl)thiophene-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-[(4-fluorophenyl)sulfamoyl]-4-(4-methylphenyl)thiophene-2-carboxylate
PubChem CID42584805
Molecular FormulaC20H18FNO4S2
Molecular Weight419.50 g/mol
Exact Mass419.07
IUPAC Nameethyl 3-[(4-fluorophenyl)sulfamoyl]-4-(4-methylphenyl)thiophene-2-carboxylate
SMILESCCOC(=O)c1scc(-c2ccc(C)cc2)c1S(=O)(=O)Nc1ccc(F)cc1
InChIInChI=1S/C20H18FNO4S2/c1-3-26-20(23)18-19(17(12-27-18)14-6-4-13(2)5-7-14)28(24,25)22-16-10-8-15(21)9-11-16/h4-12,22H,3H2,1-2H3
InChIKeyQJLWSYPCLPTPDA-UHFFFAOYSA-N
XLogP4.84
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.50
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 3-[(4-fluorophenyl)sulfamoyl]-4-(4-methylphenyl)thiophene-2-carboxylate 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 ethyl 3-[(4-fluorophenyl)sulfamoyl]-4-(4-methylphenyl)thiophene-2-carboxylate?
The IUPAC name of ethyl 3-[(4-fluorophenyl)sulfamoyl]-4-(4-methylphenyl)thiophene-2-carboxylate (CID 42584805) is ethyl 3-[(4-fluorophenyl)sulfamoyl]-4-(4-methylphenyl)thiophene-2-carboxylate.
What is the SMILES notation for ethyl 3-[(4-fluorophenyl)sulfamoyl]-4-(4-methylphenyl)thiophene-2-carboxylate?
The canonical SMILES for ethyl 3-[(4-fluorophenyl)sulfamoyl]-4-(4-methylphenyl)thiophene-2-carboxylate is CCOC(=O)c1scc(-c2ccc(C)cc2)c1S(=O)(=O)Nc1ccc(F)cc1.
What is the InChIKey of ethyl 3-[(4-fluorophenyl)sulfamoyl]-4-(4-methylphenyl)thiophene-2-carboxylate?
The InChIKey is QJLWSYPCLPTPDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FNO4S2/c1-3-26-20(23)18-19(17(12-27-18)14-6-4-13(2)5-7-14)28(24,25)22-16-10-8-15(21)9-11-16/h4-12,22H,3H2,1-2H3.
What are the key properties of ethyl 3-[(4-fluorophenyl)sulfamoyl]-4-(4-methylphenyl)thiophene-2-carboxylate?
ethyl 3-[(4-fluorophenyl)sulfamoyl]-4-(4-methylphenyl)thiophene-2-carboxylate has a molecular weight of 419.50 g/mol, XLogP of 4.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(4-fluorophenyl)sulfamoyl]-4-(4-methylphenyl)thiophene-2-carboxylate is sourced from PubChem (CID 42584805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).