3-(dimethylamino)-N-[6-(methylsulfamoyl)-1,3-benzothiazol-2-yl]benzamide

C17H18N4O3S2 — CID 3464222

IUPAC3-(dimethylamino)-N-[6-(methylsulfamoyl)-1,3-benzothiazol-2-yl]benzamide
SMILESCNS(=O)(=O)c1ccc2nc(NC(=O)c3cccc(N(C)C)c3)sc2c1
InChIInChI=1S/C17H18N4O3S2/c1-18-26(23,24)13-7-8-14-15(10-13)25-17(19-14)20-16(22)11-5-4-6-12(9-11)21(2)3/h4-10,18H,1-3H3,(H,19,20,22)
InChIKeyXSKNHUVJIPBZKO-UHFFFAOYSA-N
MW390.49 g/mol
LogP2.52
Rot. Bonds5

About 3-(dimethylamino)-N-[6-(methylsulfamoyl)-1,3-benzothiazol-2-yl]benzamide

3-(dimethylamino)-N-[6-(methylsulfamoyl)-1,3-benzothiazol-2-yl]benzamide (PubChem CID 3464222) has the molecular formula C17H18N4O3S2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 3-(dimethylamino)-N-[6-(methylsulfamoyl)-1,3-benzothiazol-2-yl]benzamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-[6-(methylsulfamoyl)-1,3-benzothiazol-2-yl]benzamide
PubChem CID3464222
Molecular FormulaC17H18N4O3S2
Molecular Weight390.49 g/mol
Exact Mass390.08
IUPAC Name3-(dimethylamino)-N-[6-(methylsulfamoyl)-1,3-benzothiazol-2-yl]benzamide
SMILESCNS(=O)(=O)c1ccc2nc(NC(=O)c3cccc(N(C)C)c3)sc2c1
InChIInChI=1S/C17H18N4O3S2/c1-18-26(23,24)13-7-8-14-15(10-13)25-17(19-14)20-16(22)11-5-4-6-12(9-11)21(2)3/h4-10,18H,1-3H3,(H,19,20,22)
InChIKeyXSKNHUVJIPBZKO-UHFFFAOYSA-N
XLogP2.52
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-(dimethylamino)-N-[6-(methylsulfamoyl)-1,3-benzothiazol-2-yl]benzamide 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

N-[6-(dibutylsulfamoyl)-1,3-benzothiazol-2-yl]-3-(dimethylamino)benzamide
CID 5075791
N-[6-(methylsulfamoyl)-1,3-benzothiazol-2-yl]pyridine-4-carboxamide
CID 734500
3,4,5-triethoxy-N-[6-(methylsulfamoyl)-1,3-benzothiazol-2-yl]benzamide
CID 3615359
2,5-dichloro-N-[6-(methylsulfamoyl)-1,3-benzothiazol-2-yl]benzamide
CID 5082587
N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]-3-nitrobenzamide
CID 4075249
N-[6-(methylsulfamoyl)-1,3-benzothiazol-2-yl]-2-phenylacetamide
CID 4080204
3-(dimethylamino)-N-(4-fluoro-1,3-benzothiazol-2-yl)benzamide
CID 121082993
N-[6-(methylsulfamoyl)-1,3-benzothiazol-2-yl]-3,3-diphenylpropanamide
CID 3339715
2-chloro-N-[[6-(methylsulfamoyl)-1,3-benzothiazol-2-yl]carbamoyl]benzamide
CID 57422784
N-[6-(dibutylsulfamoyl)-1,3-benzothiazol-2-yl]-3-methylbenzamide
CID 3457771
N-[6-[bis(2-methylpropyl)sulfamoyl]-1,3-benzothiazol-2-yl]-4-(dimethylamino)benzamide
CID 3310017
3-(dimethylamino)-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)benzamide
CID 121082978

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-[6-(methylsulfamoyl)-1,3-benzothiazol-2-yl]benzamide?
The IUPAC name of 3-(dimethylamino)-N-[6-(methylsulfamoyl)-1,3-benzothiazol-2-yl]benzamide (CID 3464222) is 3-(dimethylamino)-N-[6-(methylsulfamoyl)-1,3-benzothiazol-2-yl]benzamide.
What is the SMILES notation for 3-(dimethylamino)-N-[6-(methylsulfamoyl)-1,3-benzothiazol-2-yl]benzamide?
The canonical SMILES for 3-(dimethylamino)-N-[6-(methylsulfamoyl)-1,3-benzothiazol-2-yl]benzamide is CNS(=O)(=O)c1ccc2nc(NC(=O)c3cccc(N(C)C)c3)sc2c1.
What is the InChIKey of 3-(dimethylamino)-N-[6-(methylsulfamoyl)-1,3-benzothiazol-2-yl]benzamide?
The InChIKey is XSKNHUVJIPBZKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3S2/c1-18-26(23,24)13-7-8-14-15(10-13)25-17(19-14)20-16(22)11-5-4-6-12(9-11)21(2)3/h4-10,18H,1-3H3,(H,19,20,22).
What are the key properties of 3-(dimethylamino)-N-[6-(methylsulfamoyl)-1,3-benzothiazol-2-yl]benzamide?
3-(dimethylamino)-N-[6-(methylsulfamoyl)-1,3-benzothiazol-2-yl]benzamide has a molecular weight of 390.49 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-[6-(methylsulfamoyl)-1,3-benzothiazol-2-yl]benzamide is sourced from PubChem (CID 3464222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).