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

C24H22N4O3S2 — CID 31156775

IUPAC2-methyl-5-[(4-methylphenyl)sulfamoyl]-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)Nc3nc(C)c(-c4ccccn4)s3)c2)cc1
InChIInChI=1S/C24H22N4O3S2/c1-15-7-10-18(11-8-15)28-33(30,31)19-12-9-16(2)20(14-19)23(29)27-24-26-17(3)22(32-24)21-6-4-5-13-25-21/h4-14,28H,1-3H3,(H,26,27,29)
InChIKeyOOAMIGMKFVXUDW-UHFFFAOYSA-N
MW478.60 g/mol
LogP5.18
Rot. Bonds6

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

2-methyl-5-[(4-methylphenyl)sulfamoyl]-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)benzamide (PubChem CID 31156775) has the molecular formula C24H22N4O3S2 and a molecular weight of 478.60 g/mol. Its IUPAC name is 2-methyl-5-[(4-methylphenyl)sulfamoyl]-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name2-methyl-5-[(4-methylphenyl)sulfamoyl]-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
PubChem CID31156775
Molecular FormulaC24H22N4O3S2
Molecular Weight478.60 g/mol
Exact Mass478.11
IUPAC Name2-methyl-5-[(4-methylphenyl)sulfamoyl]-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)Nc3nc(C)c(-c4ccccn4)s3)c2)cc1
InChIInChI=1S/C24H22N4O3S2/c1-15-7-10-18(11-8-15)28-33(30,31)19-12-9-16(2)20(14-19)23(29)27-24-26-17(3)22(32-24)21-6-4-5-13-25-21/h4-14,28H,1-3H3,(H,26,27,29)
InChIKeyOOAMIGMKFVXUDW-UHFFFAOYSA-N
XLogP5.18
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.60
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-5-[(4-methylphenyl)sulfamoyl]-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 55978522
4-[(4-fluorophenyl)sulfonylamino]-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 31157378
N-[5-(cyanomethylsulfanyl)-4-methyl-1,3-thiazol-2-yl]-2-methyl-5-[(4-methylphenyl)sulfamoyl]benzamide
CID 55847513
N,2-dimethyl-5-[(4-methylphenyl)sulfamoyl]benzamide
CID 51163000
N-[5-[5-(benzenesulfonamido)-2-pyridinyl]-4-methyl-1,3-thiazol-2-yl]acetamide
CID 86620407
4-methyl-N-(4-pyridin-2-ylphenyl)benzenesulfonamide
CID 169370373
2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-quinolin-6-ylbenzamide
CID 60556006
3-(diethylsulfamoyl)-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 31154870
methyl 3-[[2-methyl-5-[(4-methylphenyl)sulfamoyl]benzoyl]amino]benzoate
CID 26886954
2,6-difluoro-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 31171489
N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-2-oxo-1H-quinoline-4-carboxamide
CID 31155584
4-methoxy-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 31154800

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(4-methylphenyl)sulfamoyl]-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 2-methyl-5-[(4-methylphenyl)sulfamoyl]-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)benzamide (CID 31156775) is 2-methyl-5-[(4-methylphenyl)sulfamoyl]-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 2-methyl-5-[(4-methylphenyl)sulfamoyl]-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 2-methyl-5-[(4-methylphenyl)sulfamoyl]-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)benzamide is Cc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)Nc3nc(C)c(-c4ccccn4)s3)c2)cc1.
What is the InChIKey of 2-methyl-5-[(4-methylphenyl)sulfamoyl]-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)benzamide?
The InChIKey is OOAMIGMKFVXUDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O3S2/c1-15-7-10-18(11-8-15)28-33(30,31)19-12-9-16(2)20(14-19)23(29)27-24-26-17(3)22(32-24)21-6-4-5-13-25-21/h4-14,28H,1-3H3,(H,26,27,29).
What are the key properties of 2-methyl-5-[(4-methylphenyl)sulfamoyl]-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)benzamide?
2-methyl-5-[(4-methylphenyl)sulfamoyl]-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)benzamide has a molecular weight of 478.60 g/mol, XLogP of 5.18, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(4-methylphenyl)sulfamoyl]-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 31156775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).