N-(2,5-dimethylphenyl)-4-[(2-methylphenyl)methyl-methylsulfonylamino]benzamide

C24H26N2O3S — CID 126117559

IUPACN-(2,5-dimethylphenyl)-4-[(2-methylphenyl)methyl-methylsulfonylamino]benzamide
SMILESCc1ccc(C)c(NC(=O)c2ccc(N(Cc3ccccc3C)S(C)(=O)=O)cc2)c1
InChIInChI=1S/C24H26N2O3S/c1-17-9-10-19(3)23(15-17)25-24(27)20-11-13-22(14-12-20)26(30(4,28)29)16-21-8-6-5-7-18(21)2/h5-15H,16H2,1-4H3,(H,25,27)
InChIKeyBOIGVRWPIWUAKF-UHFFFAOYSA-N
MW422.55 g/mol
LogP4.83
Rot. Bonds6

About N-(2,5-dimethylphenyl)-4-[(2-methylphenyl)methyl-methylsulfonylamino]benzamide

N-(2,5-dimethylphenyl)-4-[(2-methylphenyl)methyl-methylsulfonylamino]benzamide (PubChem CID 126117559) has the molecular formula C24H26N2O3S and a molecular weight of 422.55 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-4-[(2-methylphenyl)methyl-methylsulfonylamino]benzamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-4-[(2-methylphenyl)methyl-methylsulfonylamino]benzamide
PubChem CID126117559
Molecular FormulaC24H26N2O3S
Molecular Weight422.55 g/mol
Exact Mass422.17
IUPAC NameN-(2,5-dimethylphenyl)-4-[(2-methylphenyl)methyl-methylsulfonylamino]benzamide
SMILESCc1ccc(C)c(NC(=O)c2ccc(N(Cc3ccccc3C)S(C)(=O)=O)cc2)c1
InChIInChI=1S/C24H26N2O3S/c1-17-9-10-19(3)23(15-17)25-24(27)20-11-13-22(14-12-20)26(30(4,28)29)16-21-8-6-5-7-18(21)2/h5-15H,16H2,1-4H3,(H,25,27)
InChIKeyBOIGVRWPIWUAKF-UHFFFAOYSA-N
XLogP4.83
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.55
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]-N-(2,5-dimethylphenyl)benzamide
CID 2884397
N-[1-(2,4-dimethylphenyl)ethyl]-4-[(2-methylphenyl)methyl-methylsulfonylamino]benzamide
CID 43906009
N-cyclopropyl-4-[(2-methylphenyl)methyl-methylsulfonylamino]benzamide
CID 989117
4-[(2-methylphenyl)methyl-methylsulfonylamino]-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]benzamide
CID 126182412
N-(4-methoxyphenyl)-4-[(2-methylphenyl)methyl-methylsulfonylamino]benzamide
CID 1315945
N-(cyclododecylideneamino)-4-[(2-methylphenyl)methyl-methylsulfonylamino]benzamide
CID 126119637
4-[(2,6-dichlorophenyl)methyl-methylsulfonylamino]-N-(2,4-dimethylphenyl)benzamide
CID 53282683
N-(2,5-dimethylphenyl)-4-[(2-ethoxy-N-methylsulfonylanilino)methyl]benzamide
CID 53287447
N-(2,4-difluorophenyl)-4-[(2-fluorophenyl)methyl-methylsulfonylamino]benzamide
CID 19062175
4-[(2-methylphenyl)methyl-methylsulfonylamino]-N-(pyridin-4-ylmethyl)benzamide
CID 1210836
4-[(2-methylphenyl)methyl-methylsulfonylamino]-N-[(1-methylpiperidin-4-ylidene)amino]benzamide
CID 126134361
N-(2-methylphenyl)-4-[methylsulfonyl(prop-2-enyl)amino]benzamide
CID 967212

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-4-[(2-methylphenyl)methyl-methylsulfonylamino]benzamide?
The IUPAC name of N-(2,5-dimethylphenyl)-4-[(2-methylphenyl)methyl-methylsulfonylamino]benzamide (CID 126117559) is N-(2,5-dimethylphenyl)-4-[(2-methylphenyl)methyl-methylsulfonylamino]benzamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-4-[(2-methylphenyl)methyl-methylsulfonylamino]benzamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-4-[(2-methylphenyl)methyl-methylsulfonylamino]benzamide is Cc1ccc(C)c(NC(=O)c2ccc(N(Cc3ccccc3C)S(C)(=O)=O)cc2)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-4-[(2-methylphenyl)methyl-methylsulfonylamino]benzamide?
The InChIKey is BOIGVRWPIWUAKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3S/c1-17-9-10-19(3)23(15-17)25-24(27)20-11-13-22(14-12-20)26(30(4,28)29)16-21-8-6-5-7-18(21)2/h5-15H,16H2,1-4H3,(H,25,27).
What are the key properties of N-(2,5-dimethylphenyl)-4-[(2-methylphenyl)methyl-methylsulfonylamino]benzamide?
N-(2,5-dimethylphenyl)-4-[(2-methylphenyl)methyl-methylsulfonylamino]benzamide has a molecular weight of 422.55 g/mol, XLogP of 4.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-4-[(2-methylphenyl)methyl-methylsulfonylamino]benzamide is sourced from PubChem (CID 126117559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).