N-(5,6-dimethyl-3-pyridinyl)-4-(1,3-thiazol-2-ylsulfamoyl)benzamide

C17H16N4O3S2 — CID 87488160

IUPACN-(5,6-dimethyl-3-pyridinyl)-4-(1,3-thiazol-2-ylsulfamoyl)benzamide
SMILESCc1cc(NC(=O)c2ccc(S(=O)(=O)Nc3nccs3)cc2)cnc1C
InChIInChI=1S/C17H16N4O3S2/c1-11-9-14(10-19-12(11)2)20-16(22)13-3-5-15(6-4-13)26(23,24)21-17-18-7-8-25-17/h3-10H,1-2H3,(H,18,21)(H,20,22)
InChIKeyNOJHKNLOKZOMAE-UHFFFAOYSA-N
MW388.47 g/mol
LogP3.21
Rot. Bonds5

About N-(5,6-dimethyl-3-pyridinyl)-4-(1,3-thiazol-2-ylsulfamoyl)benzamide

N-(5,6-dimethyl-3-pyridinyl)-4-(1,3-thiazol-2-ylsulfamoyl)benzamide (PubChem CID 87488160) has the molecular formula C17H16N4O3S2 and a molecular weight of 388.47 g/mol. Its IUPAC name is N-(5,6-dimethyl-3-pyridinyl)-4-(1,3-thiazol-2-ylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(5,6-dimethyl-3-pyridinyl)-4-(1,3-thiazol-2-ylsulfamoyl)benzamide
PubChem CID87488160
Molecular FormulaC17H16N4O3S2
Molecular Weight388.47 g/mol
Exact Mass388.07
IUPAC NameN-(5,6-dimethyl-3-pyridinyl)-4-(1,3-thiazol-2-ylsulfamoyl)benzamide
SMILESCc1cc(NC(=O)c2ccc(S(=O)(=O)Nc3nccs3)cc2)cnc1C
InChIInChI=1S/C17H16N4O3S2/c1-11-9-14(10-19-12(11)2)20-16(22)13-3-5-15(6-4-13)26(23,24)21-17-18-7-8-25-17/h3-10H,1-2H3,(H,18,21)(H,20,22)
InChIKeyNOJHKNLOKZOMAE-UHFFFAOYSA-N
XLogP3.21
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(5,6-dimethyl-3-pyridinyl)-4-(1,3-thiazol-2-ylsulfamoyl)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

4-nitro-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide
CID 2246052
3-chloro-4-(methanesulfonamido)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide
CID 30391286
3-[(2,3-dimethylphenyl)sulfamoyl]-4-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide
CID 3474646
4-(3-methylbutoxy)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide
CID 4948208
3,5-dimethyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-1,2-oxazole-4-carboxamide
CID 2225489
2-[[4-(1,3-thiazol-2-ylsulfamoyl)benzoyl]amino]acetic acid
CID 146122970
4-chloro-3-[(2,3-dimethylphenyl)sulfamoyl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide
CID 126416977
3-bromo-4-methyl-N-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamothioyl]benzamide
CID 3376197
3-iodo-4-methyl-N-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamothioyl]benzamide
CID 5229800
4-chloro-N-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamoyl]benzamide
CID 25041464
3-(4-fluorophenyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-1H-pyrazole-5-carboxamide
CID 19514441
2-(3,4-dimethylphenyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
CID 8961470

Frequently Asked Questions

What is the IUPAC name of N-(5,6-dimethyl-3-pyridinyl)-4-(1,3-thiazol-2-ylsulfamoyl)benzamide?
The IUPAC name of N-(5,6-dimethyl-3-pyridinyl)-4-(1,3-thiazol-2-ylsulfamoyl)benzamide (CID 87488160) is N-(5,6-dimethyl-3-pyridinyl)-4-(1,3-thiazol-2-ylsulfamoyl)benzamide.
What is the SMILES notation for N-(5,6-dimethyl-3-pyridinyl)-4-(1,3-thiazol-2-ylsulfamoyl)benzamide?
The canonical SMILES for N-(5,6-dimethyl-3-pyridinyl)-4-(1,3-thiazol-2-ylsulfamoyl)benzamide is Cc1cc(NC(=O)c2ccc(S(=O)(=O)Nc3nccs3)cc2)cnc1C.
What is the InChIKey of N-(5,6-dimethyl-3-pyridinyl)-4-(1,3-thiazol-2-ylsulfamoyl)benzamide?
The InChIKey is NOJHKNLOKZOMAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3S2/c1-11-9-14(10-19-12(11)2)20-16(22)13-3-5-15(6-4-13)26(23,24)21-17-18-7-8-25-17/h3-10H,1-2H3,(H,18,21)(H,20,22).
What are the key properties of N-(5,6-dimethyl-3-pyridinyl)-4-(1,3-thiazol-2-ylsulfamoyl)benzamide?
N-(5,6-dimethyl-3-pyridinyl)-4-(1,3-thiazol-2-ylsulfamoyl)benzamide has a molecular weight of 388.47 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dimethyl-3-pyridinyl)-4-(1,3-thiazol-2-ylsulfamoyl)benzamide is sourced from PubChem (CID 87488160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).