(2-methyl-1,3-thiazol-4-yl)methyl 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate

C20H20N2O5S2 — CID 2595353

IUPAC(2-methyl-1,3-thiazol-4-yl)methyl 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate
SMILESCOc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)OCc2csc(C)n2)cc1
InChIInChI=1S/C20H20N2O5S2/c1-14-21-16(13-28-14)12-27-20(23)15-8-10-17(11-9-15)29(24,25)22(2)18-6-4-5-7-19(18)26-3/h4-11,13H,12H2,1-3H3
InChIKeyWRBHWFUHGMZOBJ-UHFFFAOYSA-N
MW432.52 g/mol
LogP3.64
Rot. Bonds7

About (2-methyl-1,3-thiazol-4-yl)methyl 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate

(2-methyl-1,3-thiazol-4-yl)methyl 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate (PubChem CID 2595353) has the molecular formula C20H20N2O5S2 and a molecular weight of 432.52 g/mol. Its IUPAC name is (2-methyl-1,3-thiazol-4-yl)methyl 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate.

Molecular Properties

Compound Name(2-methyl-1,3-thiazol-4-yl)methyl 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate
PubChem CID2595353
Molecular FormulaC20H20N2O5S2
Molecular Weight432.52 g/mol
Exact Mass432.08
IUPAC Name(2-methyl-1,3-thiazol-4-yl)methyl 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate
SMILESCOc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)OCc2csc(C)n2)cc1
InChIInChI=1S/C20H20N2O5S2/c1-14-21-16(13-28-14)12-27-20(23)15-8-10-17(11-9-15)29(24,25)22(2)18-6-4-5-7-19(18)26-3/h4-11,13H,12H2,1-3H3
InChIKeyWRBHWFUHGMZOBJ-UHFFFAOYSA-N
XLogP3.64
TPSA85.80 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(3-methylphenyl)methyl 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate
CID 18205883
(2-methyl-1,3-thiazol-4-yl)methyl 3-[methyl(phenyl)sulfamoyl]benzoate
CID 2577675
(7-bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate
CID 2102229
(5-phenyl-1,3-oxazol-2-yl)methyl 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate
CID 16532904
[2-(N-methylanilino)-2-oxoethyl] 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate
CID 2434865
(2-methyl-1,3-thiazol-4-yl)methyl 4-(difluoromethylsulfonyl)benzoate
CID 2499484
propan-2-yl 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate
CID 43004476
[2-(4-methoxyanilino)-2-oxoethyl] 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate
CID 4854134
(2-butoxy-2-oxoethyl) 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate
CID 16569078
N-methoxy-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
CID 17476225
[(2S)-1-amino-1-oxopropan-2-yl] 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate
CID 2595340
[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate
CID 55317217

Frequently Asked Questions

What is the IUPAC name of (2-methyl-1,3-thiazol-4-yl)methyl 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate?
The IUPAC name of (2-methyl-1,3-thiazol-4-yl)methyl 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate (CID 2595353) is (2-methyl-1,3-thiazol-4-yl)methyl 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate.
What is the SMILES notation for (2-methyl-1,3-thiazol-4-yl)methyl 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate?
The canonical SMILES for (2-methyl-1,3-thiazol-4-yl)methyl 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate is COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)OCc2csc(C)n2)cc1.
What is the InChIKey of (2-methyl-1,3-thiazol-4-yl)methyl 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate?
The InChIKey is WRBHWFUHGMZOBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O5S2/c1-14-21-16(13-28-14)12-27-20(23)15-8-10-17(11-9-15)29(24,25)22(2)18-6-4-5-7-19(18)26-3/h4-11,13H,12H2,1-3H3.
What are the key properties of (2-methyl-1,3-thiazol-4-yl)methyl 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate?
(2-methyl-1,3-thiazol-4-yl)methyl 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate has a molecular weight of 432.52 g/mol, XLogP of 3.64, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-1,3-thiazol-4-yl)methyl 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate is sourced from PubChem (CID 2595353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).