N-(3-chloro-4-methylphenyl)-2-(3,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide

C24H25ClN2O3S — CID 51343969

IUPACN-(3-chloro-4-methylphenyl)-2-(3,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C)c(Cl)c2)c2ccc(C)c(C)c2)cc1
InChIInChI=1S/C24H25ClN2O3S/c1-16-5-11-22(12-6-16)31(29,30)27(21-10-8-17(2)19(4)13-21)15-24(28)26-20-9-7-18(3)23(25)14-20/h5-14H,15H2,1-4H3,(H,26,28)
InChIKeyJHCKKZBKXDQTJM-UHFFFAOYSA-N
MW457.00 g/mol
LogP5.41
Rot. Bonds6

About N-(3-chloro-4-methylphenyl)-2-(3,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide

N-(3-chloro-4-methylphenyl)-2-(3,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide (PubChem CID 51343969) has the molecular formula C24H25ClN2O3S and a molecular weight of 457.00 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-2-(3,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-2-(3,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
PubChem CID51343969
Molecular FormulaC24H25ClN2O3S
Molecular Weight457.00 g/mol
Exact Mass456.13
IUPAC NameN-(3-chloro-4-methylphenyl)-2-(3,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C)c(Cl)c2)c2ccc(C)c(C)c2)cc1
InChIInChI=1S/C24H25ClN2O3S/c1-16-5-11-22(12-6-16)31(29,30)27(21-10-8-17(2)19(4)13-21)15-24(28)26-20-9-7-18(3)23(25)14-20/h5-14H,15H2,1-4H3,(H,26,28)
InChIKeyJHCKKZBKXDQTJM-UHFFFAOYSA-N
XLogP5.41
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.00
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-2-(3-chloro-4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 1339298
2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)-N-(3,4-dimethylphenyl)acetamide
CID 30171177
2-[N-(benzenesulfonyl)-3-chloro-4-methylanilino]-N-(3,4-dimethylphenyl)acetamide
CID 30170238
ethyl 2-chloro-5-[[2-(3,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzoate
CID 30306211
2-(3,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-phenylacetamide
CID 51345395
N-(3,4-dimethoxyphenyl)-2-(3,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 51343967
N-(1,3-benzodioxol-5-yl)-2-(3,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 1000004
2-(3-chloro-4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-methylacetamide
CID 30172772
2-(2-chloro-N-(4-methylphenyl)sulfonylanilino)-N-(3,4-dimethylphenyl)acetamide
CID 4038920
N-(3,4-dichlorophenyl)-2-(N-(4-methylphenyl)sulfonylanilino)acetamide
CID 126341497
2-(N-(4-chlorophenyl)sulfonyl-3,4-dimethylanilino)-N-naphthalen-2-ylacetamide
CID 126139039
2-[N-(benzenesulfonyl)-3-chloro-4-methylanilino]-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]acetamide
CID 43881628

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-2-(3,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-2-(3,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide (CID 51343969) is N-(3-chloro-4-methylphenyl)-2-(3,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-2-(3,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-2-(3,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide is Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C)c(Cl)c2)c2ccc(C)c(C)c2)cc1.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-2-(3,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide?
The InChIKey is JHCKKZBKXDQTJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN2O3S/c1-16-5-11-22(12-6-16)31(29,30)27(21-10-8-17(2)19(4)13-21)15-24(28)26-20-9-7-18(3)23(25)14-20/h5-14H,15H2,1-4H3,(H,26,28).
What are the key properties of N-(3-chloro-4-methylphenyl)-2-(3,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide?
N-(3-chloro-4-methylphenyl)-2-(3,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide has a molecular weight of 457.00 g/mol, XLogP of 5.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-2-(3,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide is sourced from PubChem (CID 51343969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).