methyl 5-[[2-(2,4-difluorophenyl)-1,3-thiazol-4-yl]-ethylsulfamoyl]-2,3-dimethylbenzoate

C21H20F2N2O4S2 — CID 69236040

IUPACmethyl 5-[[2-(2,4-difluorophenyl)-1,3-thiazol-4-yl]-ethylsulfamoyl]-2,3-dimethylbenzoate
SMILESCCN(c1csc(-c2ccc(F)cc2F)n1)S(=O)(=O)c1cc(C)c(C)c(C(=O)OC)c1
InChIInChI=1S/C21H20F2N2O4S2/c1-5-25(19-11-30-20(24-19)16-7-6-14(22)9-18(16)23)31(27,28)15-8-12(2)13(3)17(10-15)21(26)29-4/h6-11H,5H2,1-4H3
InChIKeyMAZIOGIVRSOJMR-UHFFFAOYSA-N
MW466.53 g/mol
LogP4.71
Rot. Bonds6

About methyl 5-[[2-(2,4-difluorophenyl)-1,3-thiazol-4-yl]-ethylsulfamoyl]-2,3-dimethylbenzoate

methyl 5-[[2-(2,4-difluorophenyl)-1,3-thiazol-4-yl]-ethylsulfamoyl]-2,3-dimethylbenzoate (PubChem CID 69236040) has the molecular formula C21H20F2N2O4S2 and a molecular weight of 466.53 g/mol. Its IUPAC name is methyl 5-[[2-(2,4-difluorophenyl)-1,3-thiazol-4-yl]-ethylsulfamoyl]-2,3-dimethylbenzoate.

Molecular Properties

Compound Namemethyl 5-[[2-(2,4-difluorophenyl)-1,3-thiazol-4-yl]-ethylsulfamoyl]-2,3-dimethylbenzoate
PubChem CID69236040
Molecular FormulaC21H20F2N2O4S2
Molecular Weight466.53 g/mol
Exact Mass466.08
IUPAC Namemethyl 5-[[2-(2,4-difluorophenyl)-1,3-thiazol-4-yl]-ethylsulfamoyl]-2,3-dimethylbenzoate
SMILESCCN(c1csc(-c2ccc(F)cc2F)n1)S(=O)(=O)c1cc(C)c(C)c(C(=O)OC)c1
InChIInChI=1S/C21H20F2N2O4S2/c1-5-25(19-11-30-20(24-19)16-7-6-14(22)9-18(16)23)31(27,28)15-8-12(2)13(3)17(10-15)21(26)29-4/h6-11H,5H2,1-4H3
InChIKeyMAZIOGIVRSOJMR-UHFFFAOYSA-N
XLogP4.71
TPSA76.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.53
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 5-[[2-(2,4-difluorophenyl)-1,3-thiazol-4-yl]-ethylsulfamoyl]-2,3-dimethylbenzoate 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

methyl 5-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-ethylsulfamoyl]-2-methylbenzoate
CID 69235703
methyl 5-[ethyl-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]sulfamoyl]-2-methylbenzoate
CID 69235124
methyl 5-[ethyl-[2-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-4-yl]sulfamoyl]-2-methylbenzoate
CID 69237514
methyl 5-[ethyl-[5-methyl-2-(4-methylphenyl)-1,3-thiazol-4-yl]sulfamoyl]-2,3-dimethylbenzoate
CID 69234072
methyl 5-[[4-(3-chloro-4-fluorophenoxy)phenyl]-ethylsulfamoyl]-2,3-dimethylbenzoate
CID 69233929
methyl 5-[ethyl-(4-pyridin-4-yloxyphenyl)sulfamoyl]-2,3-dimethylbenzoate
CID 69236510
5-[ethyl-[2-(4-methylphenyl)-1,3-thiazol-4-yl]sulfamoyl]-2-methylbenzoic acid
CID 69236674
methyl 5-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl-ethylsulfamoyl]-2,3-dimethylbenzoate
CID 87745941
methyl 5-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-propylsulfamoyl]-2-ethylbenzoate
CID 90812928
2-(2,4-difluorophenyl)-1,3-thiazole-4-carboxylic acid;ethyl 2-(2,4-difluorophenyl)-1,3-thiazole-4-carboxylate
CID 160576050
methyl 5-chlorosulfonyl-2,3-dimethylbenzoate
CID 43436740
methyl 2-[butan-2-yl(ethyl)sulfamoyl]-4-fluorobenzoate
CID 102919416

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[2-(2,4-difluorophenyl)-1,3-thiazol-4-yl]-ethylsulfamoyl]-2,3-dimethylbenzoate?
The IUPAC name of methyl 5-[[2-(2,4-difluorophenyl)-1,3-thiazol-4-yl]-ethylsulfamoyl]-2,3-dimethylbenzoate (CID 69236040) is methyl 5-[[2-(2,4-difluorophenyl)-1,3-thiazol-4-yl]-ethylsulfamoyl]-2,3-dimethylbenzoate.
What is the SMILES notation for methyl 5-[[2-(2,4-difluorophenyl)-1,3-thiazol-4-yl]-ethylsulfamoyl]-2,3-dimethylbenzoate?
The canonical SMILES for methyl 5-[[2-(2,4-difluorophenyl)-1,3-thiazol-4-yl]-ethylsulfamoyl]-2,3-dimethylbenzoate is CCN(c1csc(-c2ccc(F)cc2F)n1)S(=O)(=O)c1cc(C)c(C)c(C(=O)OC)c1.
What is the InChIKey of methyl 5-[[2-(2,4-difluorophenyl)-1,3-thiazol-4-yl]-ethylsulfamoyl]-2,3-dimethylbenzoate?
The InChIKey is MAZIOGIVRSOJMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N2O4S2/c1-5-25(19-11-30-20(24-19)16-7-6-14(22)9-18(16)23)31(27,28)15-8-12(2)13(3)17(10-15)21(26)29-4/h6-11H,5H2,1-4H3.
What are the key properties of methyl 5-[[2-(2,4-difluorophenyl)-1,3-thiazol-4-yl]-ethylsulfamoyl]-2,3-dimethylbenzoate?
methyl 5-[[2-(2,4-difluorophenyl)-1,3-thiazol-4-yl]-ethylsulfamoyl]-2,3-dimethylbenzoate has a molecular weight of 466.53 g/mol, XLogP of 4.71, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[2-(2,4-difluorophenyl)-1,3-thiazol-4-yl]-ethylsulfamoyl]-2,3-dimethylbenzoate is sourced from PubChem (CID 69236040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).