N-(2,6-diethylphenyl)-2-[(4-methylphenyl)sulfonylamino]benzamide

C24H26N2O3S — CID 3521473

IUPACN-(2,6-diethylphenyl)-2-[(4-methylphenyl)sulfonylamino]benzamide
SMILESCCc1cccc(CC)c1NC(=O)c1ccccc1NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C24H26N2O3S/c1-4-18-9-8-10-19(5-2)23(18)25-24(27)21-11-6-7-12-22(21)26-30(28,29)20-15-13-17(3)14-16-20/h6-16,26H,4-5H2,1-3H3,(H,25,27)
InChIKeyBGUYJBLLMZUMKR-UHFFFAOYSA-N
MW422.55 g/mol
LogP5.17
Rot. Bonds7

About N-(2,6-diethylphenyl)-2-[(4-methylphenyl)sulfonylamino]benzamide

N-(2,6-diethylphenyl)-2-[(4-methylphenyl)sulfonylamino]benzamide (PubChem CID 3521473) has the molecular formula C24H26N2O3S and a molecular weight of 422.55 g/mol. Its IUPAC name is N-(2,6-diethylphenyl)-2-[(4-methylphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-(2,6-diethylphenyl)-2-[(4-methylphenyl)sulfonylamino]benzamide
PubChem CID3521473
Molecular FormulaC24H26N2O3S
Molecular Weight422.55 g/mol
Exact Mass422.17
IUPAC NameN-(2,6-diethylphenyl)-2-[(4-methylphenyl)sulfonylamino]benzamide
SMILESCCc1cccc(CC)c1NC(=O)c1ccccc1NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C24H26N2O3S/c1-4-18-9-8-10-19(5-2)23(18)25-24(27)21-11-6-7-12-22(21)26-30(28,29)20-15-13-17(3)14-16-20/h6-16,26H,4-5H2,1-3H3,(H,25,27)
InChIKeyBGUYJBLLMZUMKR-UHFFFAOYSA-N
XLogP5.17
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.55
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,6-diethylanilino)-N'-(4-methylphenyl)sulfonylbenzohydrazide
CID 3510733
N-(2,6-dimethylphenyl)-2-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 19062451
N-(2-ethyl-6-methylphenyl)-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 112770783
methyl 2-methyl-3-[[2-[(4-methylphenyl)sulfonylamino]benzoyl]amino]benzoate
CID 2980517
3-[[2-[(4-methylphenyl)sulfonylamino]benzoyl]amino]-1-benzofuran-2-carboxamide
CID 3656399
4-methyl-N-[2-[[(4-methylphenyl)sulfonylamino]carbamoyl]phenyl]benzenesulfonamide
CID 4711775
N-(4-iodophenyl)-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 126385456
N-[(4-methylphenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 2979882
N-[4-[(2-ethylphenyl)sulfamoyl]phenyl]-2-methylbenzamide
CID 22306495
1,3-bis[2-[(4-methylphenyl)sulfonylamino]phenyl]urea
CID 170548847
N-[(2,5-diethylphenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 100558623
2-[(4-methylphenyl)sulfonylamino]-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 3976213

Frequently Asked Questions

What is the IUPAC name of N-(2,6-diethylphenyl)-2-[(4-methylphenyl)sulfonylamino]benzamide?
The IUPAC name of N-(2,6-diethylphenyl)-2-[(4-methylphenyl)sulfonylamino]benzamide (CID 3521473) is N-(2,6-diethylphenyl)-2-[(4-methylphenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-(2,6-diethylphenyl)-2-[(4-methylphenyl)sulfonylamino]benzamide?
The canonical SMILES for N-(2,6-diethylphenyl)-2-[(4-methylphenyl)sulfonylamino]benzamide is CCc1cccc(CC)c1NC(=O)c1ccccc1NS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-(2,6-diethylphenyl)-2-[(4-methylphenyl)sulfonylamino]benzamide?
The InChIKey is BGUYJBLLMZUMKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3S/c1-4-18-9-8-10-19(5-2)23(18)25-24(27)21-11-6-7-12-22(21)26-30(28,29)20-15-13-17(3)14-16-20/h6-16,26H,4-5H2,1-3H3,(H,25,27).
What are the key properties of N-(2,6-diethylphenyl)-2-[(4-methylphenyl)sulfonylamino]benzamide?
N-(2,6-diethylphenyl)-2-[(4-methylphenyl)sulfonylamino]benzamide has a molecular weight of 422.55 g/mol, XLogP of 5.17, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-diethylphenyl)-2-[(4-methylphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 3521473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).