(2-methyl-1,3-thiazol-4-yl)methyl 3-[methyl(phenyl)sulfamoyl]benzoate

C19H18N2O4S2 — CID 2577675

IUPAC(2-methyl-1,3-thiazol-4-yl)methyl 3-[methyl(phenyl)sulfamoyl]benzoate
SMILESCc1nc(COC(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3)c2)cs1
InChIInChI=1S/C19H18N2O4S2/c1-14-20-16(13-26-14)12-25-19(22)15-7-6-10-18(11-15)27(23,24)21(2)17-8-4-3-5-9-17/h3-11,13H,12H2,1-2H3
InChIKeyNMGMABUFQNHXMQ-UHFFFAOYSA-N
MW402.50 g/mol
LogP3.63
Rot. Bonds6

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

(2-methyl-1,3-thiazol-4-yl)methyl 3-[methyl(phenyl)sulfamoyl]benzoate (PubChem CID 2577675) has the molecular formula C19H18N2O4S2 and a molecular weight of 402.50 g/mol. Its IUPAC name is (2-methyl-1,3-thiazol-4-yl)methyl 3-[methyl(phenyl)sulfamoyl]benzoate.

Molecular Properties

Compound Name(2-methyl-1,3-thiazol-4-yl)methyl 3-[methyl(phenyl)sulfamoyl]benzoate
PubChem CID2577675
Molecular FormulaC19H18N2O4S2
Molecular Weight402.50 g/mol
Exact Mass402.07
IUPAC Name(2-methyl-1,3-thiazol-4-yl)methyl 3-[methyl(phenyl)sulfamoyl]benzoate
SMILESCc1nc(COC(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3)c2)cs1
InChIInChI=1S/C19H18N2O4S2/c1-14-20-16(13-26-14)12-25-19(22)15-7-6-10-18(11-15)27(23,24)21(2)17-8-4-3-5-9-17/h3-11,13H,12H2,1-2H3
InChIKeyNMGMABUFQNHXMQ-UHFFFAOYSA-N
XLogP3.63
TPSA76.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4-methylphenyl)methyl 3-[methyl(phenyl)sulfamoyl]benzoate
CID 2577471
(2-methyl-1,3-thiazol-4-yl)methyl 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate
CID 2595353
[2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methyl 3-[ethyl(phenyl)sulfamoyl]benzoate
CID 55315496
[2-(4-methylphenyl)-2-oxoethyl] 3-[methyl(phenyl)sulfamoyl]benzoate
CID 32698494
ethyl 4-[[3-(diethylsulfamoyl)benzoyl]oxymethyl]-1,3-thiazole-2-carboxylate
CID 55648863
(2-cyanophenyl)methyl 3-[methyl(phenyl)sulfamoyl]benzoate
CID 2652331
[2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 3-[methyl(phenyl)sulfamoyl]benzoate
CID 2577443
2-chloroprop-2-enyl 3-[methyl(phenyl)sulfamoyl]benzoate
CID 27011553
(2-methyl-1,3-thiazol-4-yl)methyl 3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoate
CID 4885543
[2-(tert-butylamino)-2-oxoethyl] 3-[methyl(phenyl)sulfamoyl]benzoate
CID 2577529
[2-oxo-2-(N-propan-2-ylanilino)ethyl] 3-[methyl(phenyl)sulfamoyl]benzoate
CID 2407936
[2-[2-(2-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 3-(dimethylsulfamoyl)benzoate
CID 55313296

Frequently Asked Questions

What is the IUPAC name of (2-methyl-1,3-thiazol-4-yl)methyl 3-[methyl(phenyl)sulfamoyl]benzoate?
The IUPAC name of (2-methyl-1,3-thiazol-4-yl)methyl 3-[methyl(phenyl)sulfamoyl]benzoate (CID 2577675) is (2-methyl-1,3-thiazol-4-yl)methyl 3-[methyl(phenyl)sulfamoyl]benzoate.
What is the SMILES notation for (2-methyl-1,3-thiazol-4-yl)methyl 3-[methyl(phenyl)sulfamoyl]benzoate?
The canonical SMILES for (2-methyl-1,3-thiazol-4-yl)methyl 3-[methyl(phenyl)sulfamoyl]benzoate is Cc1nc(COC(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3)c2)cs1.
What is the InChIKey of (2-methyl-1,3-thiazol-4-yl)methyl 3-[methyl(phenyl)sulfamoyl]benzoate?
The InChIKey is NMGMABUFQNHXMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4S2/c1-14-20-16(13-26-14)12-25-19(22)15-7-6-10-18(11-15)27(23,24)21(2)17-8-4-3-5-9-17/h3-11,13H,12H2,1-2H3.
What are the key properties of (2-methyl-1,3-thiazol-4-yl)methyl 3-[methyl(phenyl)sulfamoyl]benzoate?
(2-methyl-1,3-thiazol-4-yl)methyl 3-[methyl(phenyl)sulfamoyl]benzoate has a molecular weight of 402.50 g/mol, XLogP of 3.63, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-1,3-thiazol-4-yl)methyl 3-[methyl(phenyl)sulfamoyl]benzoate is sourced from PubChem (CID 2577675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).