methyl 2-ethyl-5-[ethyl-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]sulfamoyl]benzoate

C21H21FN2O4S2 — CID 69234354

IUPACmethyl 2-ethyl-5-[ethyl-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]sulfamoyl]benzoate
SMILESCCc1ccc(S(=O)(=O)N(CC)c2csc(-c3ccc(F)cc3)n2)cc1C(=O)OC
InChIInChI=1S/C21H21FN2O4S2/c1-4-14-8-11-17(12-18(14)21(25)28-3)30(26,27)24(5-2)19-13-29-20(23-19)15-6-9-16(22)10-7-15/h6-13H,4-5H2,1-3H3
InChIKeyJCZDANOHRVPDCC-UHFFFAOYSA-N
MW448.54 g/mol
LogP4.51
Rot. Bonds7

About methyl 2-ethyl-5-[ethyl-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]sulfamoyl]benzoate

methyl 2-ethyl-5-[ethyl-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]sulfamoyl]benzoate (PubChem CID 69234354) has the molecular formula C21H21FN2O4S2 and a molecular weight of 448.54 g/mol. Its IUPAC name is methyl 2-ethyl-5-[ethyl-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]sulfamoyl]benzoate.

Molecular Properties

Compound Namemethyl 2-ethyl-5-[ethyl-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]sulfamoyl]benzoate
PubChem CID69234354
Molecular FormulaC21H21FN2O4S2
Molecular Weight448.54 g/mol
Exact Mass448.09
IUPAC Namemethyl 2-ethyl-5-[ethyl-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]sulfamoyl]benzoate
SMILESCCc1ccc(S(=O)(=O)N(CC)c2csc(-c3ccc(F)cc3)n2)cc1C(=O)OC
InChIInChI=1S/C21H21FN2O4S2/c1-4-14-8-11-17(12-18(14)21(25)28-3)30(26,27)24(5-2)19-13-29-20(23-19)15-6-9-16(22)10-7-15/h6-13H,4-5H2,1-3H3
InChIKeyJCZDANOHRVPDCC-UHFFFAOYSA-N
XLogP4.51
TPSA76.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.54
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 2-ethyl-5-[ethyl-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]sulfamoyl]benzoate 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 methyl 2-ethyl-5-[ethyl-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]sulfamoyl]benzoate?
The IUPAC name of methyl 2-ethyl-5-[ethyl-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]sulfamoyl]benzoate (CID 69234354) is methyl 2-ethyl-5-[ethyl-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]sulfamoyl]benzoate.
What is the SMILES notation for methyl 2-ethyl-5-[ethyl-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]sulfamoyl]benzoate?
The canonical SMILES for methyl 2-ethyl-5-[ethyl-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]sulfamoyl]benzoate is CCc1ccc(S(=O)(=O)N(CC)c2csc(-c3ccc(F)cc3)n2)cc1C(=O)OC.
What is the InChIKey of methyl 2-ethyl-5-[ethyl-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]sulfamoyl]benzoate?
The InChIKey is JCZDANOHRVPDCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O4S2/c1-4-14-8-11-17(12-18(14)21(25)28-3)30(26,27)24(5-2)19-13-29-20(23-19)15-6-9-16(22)10-7-15/h6-13H,4-5H2,1-3H3.
What are the key properties of methyl 2-ethyl-5-[ethyl-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]sulfamoyl]benzoate?
methyl 2-ethyl-5-[ethyl-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]sulfamoyl]benzoate has a molecular weight of 448.54 g/mol, XLogP of 4.51, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-ethyl-5-[ethyl-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]sulfamoyl]benzoate is sourced from PubChem (CID 69234354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).