2-methyl-5-[(4-methylphenyl)sulfamoyl]-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)benzamide

C22H19N5O3S2 — CID 55978522

IUPAC2-methyl-5-[(4-methylphenyl)sulfamoyl]-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)Nc3nnc(-c4ccccn4)s3)c2)cc1
InChIInChI=1S/C22H19N5O3S2/c1-14-6-9-16(10-7-14)27-32(29,30)17-11-8-15(2)18(13-17)20(28)24-22-26-25-21(31-22)19-5-3-4-12-23-19/h3-13,27H,1-2H3,(H,24,26,28)
InChIKeyAUZHYUXEMVOSKH-UHFFFAOYSA-N
MW465.56 g/mol
LogP4.27
Rot. Bonds6

About 2-methyl-5-[(4-methylphenyl)sulfamoyl]-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)benzamide

2-methyl-5-[(4-methylphenyl)sulfamoyl]-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 55978522) has the molecular formula C22H19N5O3S2 and a molecular weight of 465.56 g/mol. Its IUPAC name is 2-methyl-5-[(4-methylphenyl)sulfamoyl]-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name2-methyl-5-[(4-methylphenyl)sulfamoyl]-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)benzamide
PubChem CID55978522
Molecular FormulaC22H19N5O3S2
Molecular Weight465.56 g/mol
Exact Mass465.09
IUPAC Name2-methyl-5-[(4-methylphenyl)sulfamoyl]-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)Nc3nnc(-c4ccccn4)s3)c2)cc1
InChIInChI=1S/C22H19N5O3S2/c1-14-6-9-16(10-7-14)27-32(29,30)17-11-8-15(2)18(13-17)20(28)24-22-26-25-21(31-22)19-5-3-4-12-23-19/h3-13,27H,1-2H3,(H,24,26,28)
InChIKeyAUZHYUXEMVOSKH-UHFFFAOYSA-N
XLogP4.27
TPSA113.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.56
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-methyl-5-[(4-methylphenyl)sulfamoyl]-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 31156775
2-(4-methylphenyl)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide
CID 55810221
N,2-dimethyl-5-[(4-methylphenyl)sulfamoyl]benzamide
CID 51163000
4-methyl-N-(4-pyridin-2-ylphenyl)benzenesulfonamide
CID 169370373
4-chloro-2-iodo-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 55810604
2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 30754773
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide
CID 2370286
methyl 3-[[2-methyl-5-[(4-methylphenyl)sulfamoyl]benzoyl]amino]benzoate
CID 26886954
N-[5-[(3,5-dimethylphenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]-2-methylbenzamide
CID 100660058
N-[5-(cyanomethylsulfanyl)-4-methyl-1,3-thiazol-2-yl]-2-methyl-5-[(4-methylphenyl)sulfamoyl]benzamide
CID 55847513
2-[(4-methylphenyl)sulfonylamino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
CID 45006642
N-cyclohexyl-2-methyl-5-[(4-methylphenyl)sulfamoyl]benzamide
CID 26534981

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(4-methylphenyl)sulfamoyl]-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 2-methyl-5-[(4-methylphenyl)sulfamoyl]-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)benzamide (CID 55978522) is 2-methyl-5-[(4-methylphenyl)sulfamoyl]-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 2-methyl-5-[(4-methylphenyl)sulfamoyl]-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 2-methyl-5-[(4-methylphenyl)sulfamoyl]-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)benzamide is Cc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)Nc3nnc(-c4ccccn4)s3)c2)cc1.
What is the InChIKey of 2-methyl-5-[(4-methylphenyl)sulfamoyl]-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is AUZHYUXEMVOSKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O3S2/c1-14-6-9-16(10-7-14)27-32(29,30)17-11-8-15(2)18(13-17)20(28)24-22-26-25-21(31-22)19-5-3-4-12-23-19/h3-13,27H,1-2H3,(H,24,26,28).
What are the key properties of 2-methyl-5-[(4-methylphenyl)sulfamoyl]-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)benzamide?
2-methyl-5-[(4-methylphenyl)sulfamoyl]-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 465.56 g/mol, XLogP of 4.27, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(4-methylphenyl)sulfamoyl]-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 55978522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).