2-(3-chloro-4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(3-chloro-2-methylphenyl)acetamide

C23H22Cl2N2O3S — CID 51344647

IUPAC2-(3-chloro-4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(3-chloro-2-methylphenyl)acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(Cl)c2C)c2ccc(C)c(Cl)c2)cc1
InChIInChI=1S/C23H22Cl2N2O3S/c1-15-7-11-19(12-8-15)31(29,30)27(18-10-9-16(2)21(25)13-18)14-23(28)26-22-6-4-5-20(24)17(22)3/h4-13H,14H2,1-3H3,(H,26,28)
InChIKeyVXLJUEXPUKQIRV-UHFFFAOYSA-N
MW477.41 g/mol
LogP5.75
Rot. Bonds6

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

2-(3-chloro-4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(3-chloro-2-methylphenyl)acetamide (PubChem CID 51344647) has the molecular formula C23H22Cl2N2O3S and a molecular weight of 477.41 g/mol. Its IUPAC name is 2-(3-chloro-4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(3-chloro-2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-chloro-4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(3-chloro-2-methylphenyl)acetamide
PubChem CID51344647
Molecular FormulaC23H22Cl2N2O3S
Molecular Weight477.41 g/mol
Exact Mass476.07
IUPAC Name2-(3-chloro-4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(3-chloro-2-methylphenyl)acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(Cl)c2C)c2ccc(C)c(Cl)c2)cc1
InChIInChI=1S/C23H22Cl2N2O3S/c1-15-7-11-19(12-8-15)31(29,30)27(18-10-9-16(2)21(25)13-18)14-23(28)26-22-6-4-5-20(24)17(22)3/h4-13H,14H2,1-3H3,(H,26,28)
InChIKeyVXLJUEXPUKQIRV-UHFFFAOYSA-N
XLogP5.75
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.41
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-N-(4-methylphenyl)sulfonylanilino)-N-(3-chloro-2-methylphenyl)acetamide
CID 51344158
2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)-N-(3-chloro-2-methylphenyl)acetamide
CID 3988953
2-[4-chloro-N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-(2,3-dimethylphenyl)acetamide
CID 126034399
2-(3-chloro-4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-methylacetamide
CID 30172772
N-(3-chloro-4-methylphenyl)-2-(3,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 51343969
2-(3,4-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 126416060
2-(3,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-naphthalen-1-ylacetamide
CID 51345410
2-[N-(benzenesulfonyl)-3-chloro-4-methylanilino]-N-(4-chloro-2-methylphenyl)acetamide
CID 51343741
2-[N-(benzenesulfonyl)-3,4-dichloroanilino]-N-(2,5-dimethylphenyl)acetamide
CID 2889396
N-(2,3-dimethylphenyl)-2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 23883732
N-[(2S)-butan-2-yl]-2-(3-chloro-4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 30172785
N-(5-chloro-2-methylphenyl)-2-(N-(4-chlorophenyl)sulfonyl-4-methylanilino)acetamide
CID 3910967

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(3-chloro-2-methylphenyl)acetamide?
The IUPAC name of 2-(3-chloro-4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(3-chloro-2-methylphenyl)acetamide (CID 51344647) is 2-(3-chloro-4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(3-chloro-2-methylphenyl)acetamide.
What is the SMILES notation for 2-(3-chloro-4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(3-chloro-2-methylphenyl)acetamide?
The canonical SMILES for 2-(3-chloro-4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(3-chloro-2-methylphenyl)acetamide is Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(Cl)c2C)c2ccc(C)c(Cl)c2)cc1.
What is the InChIKey of 2-(3-chloro-4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(3-chloro-2-methylphenyl)acetamide?
The InChIKey is VXLJUEXPUKQIRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22Cl2N2O3S/c1-15-7-11-19(12-8-15)31(29,30)27(18-10-9-16(2)21(25)13-18)14-23(28)26-22-6-4-5-20(24)17(22)3/h4-13H,14H2,1-3H3,(H,26,28).
What are the key properties of 2-(3-chloro-4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(3-chloro-2-methylphenyl)acetamide?
2-(3-chloro-4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(3-chloro-2-methylphenyl)acetamide has a molecular weight of 477.41 g/mol, XLogP of 5.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(3-chloro-2-methylphenyl)acetamide is sourced from PubChem (CID 51344647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).