N-(3,5-dimethylphenyl)-3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylbenzamide

C24H26N2O3S — CID 3891119

IUPACN-(3,5-dimethylphenyl)-3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylbenzamide
SMILESCc1cc(C)cc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(C)cc3C)c2)c1
InChIInChI=1S/C24H26N2O3S/c1-15-6-9-22(19(5)11-15)26-30(28,29)23-14-20(8-7-18(23)4)24(27)25-21-12-16(2)10-17(3)13-21/h6-14,26H,1-5H3,(H,25,27)
InChIKeyZRNVFTBXGAGVBZ-UHFFFAOYSA-N
MW422.55 g/mol
LogP5.28
Rot. Bonds5

About N-(3,5-dimethylphenyl)-3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylbenzamide

N-(3,5-dimethylphenyl)-3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylbenzamide (PubChem CID 3891119) has the molecular formula C24H26N2O3S and a molecular weight of 422.55 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylbenzamide
PubChem CID3891119
Molecular FormulaC24H26N2O3S
Molecular Weight422.55 g/mol
Exact Mass422.17
IUPAC NameN-(3,5-dimethylphenyl)-3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylbenzamide
SMILESCc1cc(C)cc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(C)cc3C)c2)c1
InChIInChI=1S/C24H26N2O3S/c1-15-6-9-22(19(5)11-15)26-30(28,29)23-14-20(8-7-18(23)4)24(27)25-21-12-16(2)10-17(3)13-21/h6-14,26H,1-5H3,(H,25,27)
InChIKeyZRNVFTBXGAGVBZ-UHFFFAOYSA-N
XLogP5.28
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.55
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[[3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylbenzoyl]amino]benzoate
CID 5173913
N-(3,4-dichlorophenyl)-3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylbenzamide
CID 126415286
3-[(2,4-dimethylphenyl)sulfamoyl]-4-methyl-N-(4-propan-2-ylphenyl)benzamide
CID 126388649
N-(2-chlorophenyl)-3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylbenzamide
CID 126385388
N-(2,6-difluorophenyl)-3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylbenzamide
CID 5184289
3-[(2,4-dimethylphenyl)sulfamoyl]-N-(2-fluorophenyl)-4-methylbenzamide
CID 126412201
4-methyl-N-(3-methylphenyl)-3-[(2-methylphenyl)sulfamoyl]benzamide
CID 3443148
3-[(2,4-dimethylphenyl)sulfamoyl]-4-methyl-N-(3-nitrophenyl)benzamide
CID 126416054
3-[(2,4-dimethylphenyl)sulfamoyl]-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-4-methylbenzamide
CID 126415722
N-(4-bromophenyl)-4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]benzamide
CID 3355768
N-(4-chloro-2-methylphenyl)-3-[(2,5-dimethylphenyl)sulfamoyl]-4-methylbenzamide
CID 3361806
3-bromo-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-4-methylbenzamide
CID 5095159

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylbenzamide?
The IUPAC name of N-(3,5-dimethylphenyl)-3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylbenzamide (CID 3891119) is N-(3,5-dimethylphenyl)-3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylbenzamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylbenzamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylbenzamide is Cc1cc(C)cc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(C)cc3C)c2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylbenzamide?
The InChIKey is ZRNVFTBXGAGVBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3S/c1-15-6-9-22(19(5)11-15)26-30(28,29)23-14-20(8-7-18(23)4)24(27)25-21-12-16(2)10-17(3)13-21/h6-14,26H,1-5H3,(H,25,27).
What are the key properties of N-(3,5-dimethylphenyl)-3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylbenzamide?
N-(3,5-dimethylphenyl)-3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylbenzamide has a molecular weight of 422.55 g/mol, XLogP of 5.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylbenzamide is sourced from PubChem (CID 3891119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).