ethyl 4-[[3-(diethylsulfamoyl)benzoyl]oxymethyl]-1,3-thiazole-2-carboxylate

C18H22N2O6S2 — CID 55648863

IUPACethyl 4-[[3-(diethylsulfamoyl)benzoyl]oxymethyl]-1,3-thiazole-2-carboxylate
SMILESCCOC(=O)c1nc(COC(=O)c2cccc(S(=O)(=O)N(CC)CC)c2)cs1
InChIInChI=1S/C18H22N2O6S2/c1-4-20(5-2)28(23,24)15-9-7-8-13(10-15)17(21)26-11-14-12-27-16(19-14)18(22)25-6-3/h7-10,12H,4-6,11H2,1-3H3
InChIKeyZRNDYMJWEKANPS-UHFFFAOYSA-N
MW426.52 g/mol
LogP2.71
Rot. Bonds9

About ethyl 4-[[3-(diethylsulfamoyl)benzoyl]oxymethyl]-1,3-thiazole-2-carboxylate

ethyl 4-[[3-(diethylsulfamoyl)benzoyl]oxymethyl]-1,3-thiazole-2-carboxylate (PubChem CID 55648863) has the molecular formula C18H22N2O6S2 and a molecular weight of 426.52 g/mol. Its IUPAC name is ethyl 4-[[3-(diethylsulfamoyl)benzoyl]oxymethyl]-1,3-thiazole-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[3-(diethylsulfamoyl)benzoyl]oxymethyl]-1,3-thiazole-2-carboxylate
PubChem CID55648863
Molecular FormulaC18H22N2O6S2
Molecular Weight426.52 g/mol
Exact Mass426.09
IUPAC Nameethyl 4-[[3-(diethylsulfamoyl)benzoyl]oxymethyl]-1,3-thiazole-2-carboxylate
SMILESCCOC(=O)c1nc(COC(=O)c2cccc(S(=O)(=O)N(CC)CC)c2)cs1
InChIInChI=1S/C18H22N2O6S2/c1-4-20(5-2)28(23,24)15-9-7-8-13(10-15)17(21)26-11-14-12-27-16(19-14)18(22)25-6-3/h7-10,12H,4-6,11H2,1-3H3
InChIKeyZRNDYMJWEKANPS-UHFFFAOYSA-N
XLogP2.71
TPSA102.87 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze ethyl 4-[[3-(diethylsulfamoyl)benzoyl]oxymethyl]-1,3-thiazole-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

Related Compounds

(2-methyl-1,3-thiazol-4-yl)methyl 3-[methyl(phenyl)sulfamoyl]benzoate
CID 2577675
2-[3-(diethylsulfamoyl)benzoyl]oxyethyl 3-(diethylsulfamoyl)benzoate
CID 4188820
benzyl 3-(diethylsulfamoyl)benzoate
CID 7970190
(4,5-dimethyl-1,3-oxazol-2-yl)methyl 3-(diethylsulfamoyl)benzoate
CID 47821720
(2-methylphenyl)methyl 3-(diethylsulfamoyl)benzoate
CID 7970187
[2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methyl 3-[ethyl(phenyl)sulfamoyl]benzoate
CID 55315496
propyl 3-(diethylsulfamoyl)benzoate
CID 78907711
[2-[di(propan-2-yl)amino]-2-oxoethyl] 3-(diethylsulfamoyl)benzoate
CID 2505781
cyanomethyl 3-(diethylsulfamoyl)benzoate
CID 2505913
[2-[2-(2-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 3-(dimethylsulfamoyl)benzoate
CID 55313296
(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 3-methylsulfonylbenzoate
CID 18203452
(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-[ethyl(phenyl)sulfamoyl]benzoate
CID 42986329

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[3-(diethylsulfamoyl)benzoyl]oxymethyl]-1,3-thiazole-2-carboxylate?
The IUPAC name of ethyl 4-[[3-(diethylsulfamoyl)benzoyl]oxymethyl]-1,3-thiazole-2-carboxylate (CID 55648863) is ethyl 4-[[3-(diethylsulfamoyl)benzoyl]oxymethyl]-1,3-thiazole-2-carboxylate.
What is the SMILES notation for ethyl 4-[[3-(diethylsulfamoyl)benzoyl]oxymethyl]-1,3-thiazole-2-carboxylate?
The canonical SMILES for ethyl 4-[[3-(diethylsulfamoyl)benzoyl]oxymethyl]-1,3-thiazole-2-carboxylate is CCOC(=O)c1nc(COC(=O)c2cccc(S(=O)(=O)N(CC)CC)c2)cs1.
What is the InChIKey of ethyl 4-[[3-(diethylsulfamoyl)benzoyl]oxymethyl]-1,3-thiazole-2-carboxylate?
The InChIKey is ZRNDYMJWEKANPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O6S2/c1-4-20(5-2)28(23,24)15-9-7-8-13(10-15)17(21)26-11-14-12-27-16(19-14)18(22)25-6-3/h7-10,12H,4-6,11H2,1-3H3.
What are the key properties of ethyl 4-[[3-(diethylsulfamoyl)benzoyl]oxymethyl]-1,3-thiazole-2-carboxylate?
ethyl 4-[[3-(diethylsulfamoyl)benzoyl]oxymethyl]-1,3-thiazole-2-carboxylate has a molecular weight of 426.52 g/mol, XLogP of 2.71, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[3-(diethylsulfamoyl)benzoyl]oxymethyl]-1,3-thiazole-2-carboxylate is sourced from PubChem (CID 55648863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).