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

C24H21N3O3S2 — CID 4177546

IUPAC4-[methyl(phenyl)sulfamoyl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
SMILESCc1ccc(-c2csc(NC(=O)c3ccc(S(=O)(=O)N(C)c4ccccc4)cc3)n2)cc1
InChIInChI=1S/C24H21N3O3S2/c1-17-8-10-18(11-9-17)22-16-31-24(25-22)26-23(28)19-12-14-21(15-13-19)32(29,30)27(2)20-6-4-3-5-7-20/h3-16H,1-2H3,(H,25,26,28)
InChIKeyHONACIJIGBNMLL-UHFFFAOYSA-N
MW463.58 g/mol
LogP5.20
Rot. Bonds6

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

4-[methyl(phenyl)sulfamoyl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide (PubChem CID 4177546) has the molecular formula C24H21N3O3S2 and a molecular weight of 463.58 g/mol. Its IUPAC name is 4-[methyl(phenyl)sulfamoyl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-[methyl(phenyl)sulfamoyl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
PubChem CID4177546
Molecular FormulaC24H21N3O3S2
Molecular Weight463.58 g/mol
Exact Mass463.10
IUPAC Name4-[methyl(phenyl)sulfamoyl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
SMILESCc1ccc(-c2csc(NC(=O)c3ccc(S(=O)(=O)N(C)c4ccccc4)cc3)n2)cc1
InChIInChI=1S/C24H21N3O3S2/c1-17-8-10-18(11-9-17)22-16-31-24(25-22)26-23(28)19-12-14-21(15-13-19)32(29,30)27(2)20-6-4-3-5-7-20/h3-16H,1-2H3,(H,25,26,28)
InChIKeyHONACIJIGBNMLL-UHFFFAOYSA-N
XLogP5.20
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.58
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-4-[methyl(phenyl)sulfamoyl]benzamide
CID 2374824
N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]-4-methylbenzamide
CID 34314459
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-[methyl(phenyl)sulfamoyl]benzamide
CID 4653870
N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-4-[methyl(phenyl)sulfamoyl]benzamide
CID 25319225
4-[ethyl(phenyl)sulfamoyl]-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide
CID 3623280
4-methyl-N-[4-[methyl(phenyl)sulfamoyl]phenyl]benzamide
CID 1226832
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 16551488
4-(dibutylsulfamoyl)-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide
CID 3359761
4-[(4-chlorophenyl)-methylsulfamoyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 46912778
4-[(4-methoxyphenyl)-methylsulfamoyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 46912779
4-[benzyl(propan-2-yl)sulfamoyl]-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide
CID 43947050
4-[benzyl(methyl)sulfamoyl]-N-[4-[2-[[4-[benzyl(methyl)sulfamoyl]benzoyl]amino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]benzamide
CID 4644127

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(phenyl)sulfamoyl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 4-[methyl(phenyl)sulfamoyl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide (CID 4177546) is 4-[methyl(phenyl)sulfamoyl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 4-[methyl(phenyl)sulfamoyl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 4-[methyl(phenyl)sulfamoyl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide is Cc1ccc(-c2csc(NC(=O)c3ccc(S(=O)(=O)N(C)c4ccccc4)cc3)n2)cc1.
What is the InChIKey of 4-[methyl(phenyl)sulfamoyl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is HONACIJIGBNMLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O3S2/c1-17-8-10-18(11-9-17)22-16-31-24(25-22)26-23(28)19-12-14-21(15-13-19)32(29,30)27(2)20-6-4-3-5-7-20/h3-16H,1-2H3,(H,25,26,28).
What are the key properties of 4-[methyl(phenyl)sulfamoyl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide?
4-[methyl(phenyl)sulfamoyl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 463.58 g/mol, XLogP of 5.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(phenyl)sulfamoyl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 4177546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).