N-(4,5-dihydro-1,3-thiazol-2-yl)-5-[(2-methoxyphenyl)sulfamoyl]-2-methylbenzamide

C18H19N3O4S2 — CID 9318828

IUPACN-(4,5-dihydro-1,3-thiazol-2-yl)-5-[(2-methoxyphenyl)sulfamoyl]-2-methylbenzamide
SMILESCOc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)NC2=NCCS2)c1
InChIInChI=1S/C18H19N3O4S2/c1-12-7-8-13(11-14(12)17(22)20-18-19-9-10-26-18)27(23,24)21-15-5-3-4-6-16(15)25-2/h3-8,11,21H,9-10H2,1-2H3,(H,19,20,22)
InChIKeyNTJFOAVXLZPMGQ-UHFFFAOYSA-N
MW405.50 g/mol
LogP2.64
Rot. Bonds5

About N-(4,5-dihydro-1,3-thiazol-2-yl)-5-[(2-methoxyphenyl)sulfamoyl]-2-methylbenzamide

N-(4,5-dihydro-1,3-thiazol-2-yl)-5-[(2-methoxyphenyl)sulfamoyl]-2-methylbenzamide (PubChem CID 9318828) has the molecular formula C18H19N3O4S2 and a molecular weight of 405.50 g/mol. Its IUPAC name is N-(4,5-dihydro-1,3-thiazol-2-yl)-5-[(2-methoxyphenyl)sulfamoyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-(4,5-dihydro-1,3-thiazol-2-yl)-5-[(2-methoxyphenyl)sulfamoyl]-2-methylbenzamide
PubChem CID9318828
Molecular FormulaC18H19N3O4S2
Molecular Weight405.50 g/mol
Exact Mass405.08
IUPAC NameN-(4,5-dihydro-1,3-thiazol-2-yl)-5-[(2-methoxyphenyl)sulfamoyl]-2-methylbenzamide
SMILESCOc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)NC2=NCCS2)c1
InChIInChI=1S/C18H19N3O4S2/c1-12-7-8-13(11-14(12)17(22)20-18-19-9-10-26-18)27(23,24)21-15-5-3-4-6-16(15)25-2/h3-8,11,21H,9-10H2,1-2H3,(H,19,20,22)
InChIKeyNTJFOAVXLZPMGQ-UHFFFAOYSA-N
XLogP2.64
TPSA96.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(2-methoxyphenyl)sulfamoyl]-2-methyl-N-[2-(methylamino)ethyl]benzamide
CID 119502214
5-[(2-methoxyphenyl)sulfamoyl]-2-methyl-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119502213
5-[(2-methoxyphenyl)sulfamoyl]-N-(3-methoxypropyl)-2-methylbenzamide
CID 4781193
5-(diethylsulfamoyl)-N-(2-methoxyphenyl)-2-methylbenzamide
CID 2994373
N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-[(2-methoxyphenyl)sulfamoyl]-2-methylbenzamide
CID 25331214
5-(2,3-dihydroindol-1-ylsulfonyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-methoxybenzamide
CID 5094355
N-[2-methoxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-5-methylpyrazine-2-carboxamide
CID 18292276
N-(4-chloro-2-methylphenyl)-4-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 26665081
2-chloro-N-[2-fluoro-4-[(2-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 18892974
N-(2-fluorophenyl)-2-methyl-5-[(2-methylphenyl)sulfamoyl]benzamide
CID 34857283
5-fluoro-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-2-methylbenzamide
CID 34092220
N-(2-methoxyphenyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 26538254

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-5-[(2-methoxyphenyl)sulfamoyl]-2-methylbenzamide?
The IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-5-[(2-methoxyphenyl)sulfamoyl]-2-methylbenzamide (CID 9318828) is N-(4,5-dihydro-1,3-thiazol-2-yl)-5-[(2-methoxyphenyl)sulfamoyl]-2-methylbenzamide.
What is the SMILES notation for N-(4,5-dihydro-1,3-thiazol-2-yl)-5-[(2-methoxyphenyl)sulfamoyl]-2-methylbenzamide?
The canonical SMILES for N-(4,5-dihydro-1,3-thiazol-2-yl)-5-[(2-methoxyphenyl)sulfamoyl]-2-methylbenzamide is COc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)NC2=NCCS2)c1.
What is the InChIKey of N-(4,5-dihydro-1,3-thiazol-2-yl)-5-[(2-methoxyphenyl)sulfamoyl]-2-methylbenzamide?
The InChIKey is NTJFOAVXLZPMGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4S2/c1-12-7-8-13(11-14(12)17(22)20-18-19-9-10-26-18)27(23,24)21-15-5-3-4-6-16(15)25-2/h3-8,11,21H,9-10H2,1-2H3,(H,19,20,22).
What are the key properties of N-(4,5-dihydro-1,3-thiazol-2-yl)-5-[(2-methoxyphenyl)sulfamoyl]-2-methylbenzamide?
N-(4,5-dihydro-1,3-thiazol-2-yl)-5-[(2-methoxyphenyl)sulfamoyl]-2-methylbenzamide has a molecular weight of 405.50 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dihydro-1,3-thiazol-2-yl)-5-[(2-methoxyphenyl)sulfamoyl]-2-methylbenzamide is sourced from PubChem (CID 9318828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).