N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-(dimethylsulfamoyl)benzamide

C18H19N3O3S2 — CID 2460785

IUPACN-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-(dimethylsulfamoyl)benzamide
SMILESCc1cc(C)c2nc(NC(=O)c3cccc(S(=O)(=O)N(C)C)c3)sc2c1
InChIInChI=1S/C18H19N3O3S2/c1-11-8-12(2)16-15(9-11)25-18(19-16)20-17(22)13-6-5-7-14(10-13)26(23,24)21(3)4/h5-10H,1-4H3,(H,19,20,22)
InChIKeyWODGLHQXVJPUFD-UHFFFAOYSA-N
MW389.50 g/mol
LogP3.42
Rot. Bonds4

About N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-(dimethylsulfamoyl)benzamide

N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-(dimethylsulfamoyl)benzamide (PubChem CID 2460785) has the molecular formula C18H19N3O3S2 and a molecular weight of 389.50 g/mol. Its IUPAC name is N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-(dimethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-(dimethylsulfamoyl)benzamide
PubChem CID2460785
Molecular FormulaC18H19N3O3S2
Molecular Weight389.50 g/mol
Exact Mass389.09
IUPAC NameN-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-(dimethylsulfamoyl)benzamide
SMILESCc1cc(C)c2nc(NC(=O)c3cccc(S(=O)(=O)N(C)C)c3)sc2c1
InChIInChI=1S/C18H19N3O3S2/c1-11-8-12(2)16-15(9-11)25-18(19-16)20-17(22)13-6-5-7-14(10-13)26(23,24)21(3)4/h5-10H,1-4H3,(H,19,20,22)
InChIKeyWODGLHQXVJPUFD-UHFFFAOYSA-N
XLogP3.42
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-(dimethylsulfamoyl)benzamide
CID 1355448
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-propan-2-ylsulfonylbenzamide
CID 41147823
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-(prop-2-enylsulfamoyl)benzamide
CID 35999033
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)benzamide
CID 4307053
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-morpholin-4-ylsulfonylbenzamide
CID 2382444
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-iodobenzamide
CID 3318366
3-bromo-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)benzamide
CID 1085238
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 2093055
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-ethylsulfonylbenzamide
CID 7579392
4-[butyl(methyl)sulfamoyl]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)benzamide
CID 5072924
N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 31893109
3-(dimethylsulfamoyl)-N-(6-phenoxy-1,3-benzothiazol-2-yl)benzamide
CID 4800277

Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-(dimethylsulfamoyl)benzamide?
The IUPAC name of N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-(dimethylsulfamoyl)benzamide (CID 2460785) is N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-(dimethylsulfamoyl)benzamide.
What is the SMILES notation for N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-(dimethylsulfamoyl)benzamide?
The canonical SMILES for N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-(dimethylsulfamoyl)benzamide is Cc1cc(C)c2nc(NC(=O)c3cccc(S(=O)(=O)N(C)C)c3)sc2c1.
What is the InChIKey of N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-(dimethylsulfamoyl)benzamide?
The InChIKey is WODGLHQXVJPUFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S2/c1-11-8-12(2)16-15(9-11)25-18(19-16)20-17(22)13-6-5-7-14(10-13)26(23,24)21(3)4/h5-10H,1-4H3,(H,19,20,22).
What are the key properties of N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-(dimethylsulfamoyl)benzamide?
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-(dimethylsulfamoyl)benzamide has a molecular weight of 389.50 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-(dimethylsulfamoyl)benzamide is sourced from PubChem (CID 2460785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).