N-(2,4-dimethylphenyl)-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide

C23H24N2O4S — CID 30258183

IUPACN-(2,4-dimethylphenyl)-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide
SMILESCc1ccc(NC(=O)CN(c2ccccc2Oc2ccccc2)S(C)(=O)=O)c(C)c1
InChIInChI=1S/C23H24N2O4S/c1-17-13-14-20(18(2)15-17)24-23(26)16-25(30(3,27)28)21-11-7-8-12-22(21)29-19-9-5-4-6-10-19/h4-15H,16H2,1-3H3,(H,24,26)
InChIKeyRIDJACIXMNCSFZ-UHFFFAOYSA-N
MW424.52 g/mol
LogP4.50
Rot. Bonds7

About N-(2,4-dimethylphenyl)-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide

N-(2,4-dimethylphenyl)-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide (PubChem CID 30258183) has the molecular formula C23H24N2O4S and a molecular weight of 424.52 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide
PubChem CID30258183
Molecular FormulaC23H24N2O4S
Molecular Weight424.52 g/mol
Exact Mass424.15
IUPAC NameN-(2,4-dimethylphenyl)-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide
SMILESCc1ccc(NC(=O)CN(c2ccccc2Oc2ccccc2)S(C)(=O)=O)c(C)c1
InChIInChI=1S/C23H24N2O4S/c1-17-13-14-20(18(2)15-17)24-23(26)16-25(30(3,27)28)21-11-7-8-12-22(21)29-19-9-5-4-6-10-19/h4-15H,16H2,1-3H3,(H,24,26)
InChIKeyRIDJACIXMNCSFZ-UHFFFAOYSA-N
XLogP4.50
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.52
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-dimethylphenyl)-2-(2-methoxy-N-methylsulfonylanilino)acetamide
CID 1320489
2-(2-chloro-N-methylsulfonylanilino)-N-(2,4-dimethylphenyl)acetamide
CID 51343170
N-(2,4-dimethylphenyl)-2-(N-methylsulfonylanilino)acetamide
CID 51343025
2-(N-methylsulfonyl-2-phenoxyanilino)-N-(2-phenylphenyl)acetamide
CID 30271434
2-[[2-(N-methylsulfonyl-2-phenoxyanilino)acetyl]amino]benzamide
CID 30276893
2-(2,4-dimethyl-N-methylsulfonylanilino)-N-(2-methylphenyl)acetamide
CID 30168672
N-(2-ethyl-6-methylphenyl)-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide
CID 30268858
N-(2-ethylsulfanylphenyl)-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide
CID 30275443
N-(2,5-dimethylphenyl)-2-(2-ethoxy-N-methylsulfonylanilino)acetamide
CID 998401
N-ethyl-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide
CID 30255339
N-(4-iodophenyl)-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide
CID 43899457
N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide
CID 100572286

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide?
The IUPAC name of N-(2,4-dimethylphenyl)-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide (CID 30258183) is N-(2,4-dimethylphenyl)-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide is Cc1ccc(NC(=O)CN(c2ccccc2Oc2ccccc2)S(C)(=O)=O)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide?
The InChIKey is RIDJACIXMNCSFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4S/c1-17-13-14-20(18(2)15-17)24-23(26)16-25(30(3,27)28)21-11-7-8-12-22(21)29-19-9-5-4-6-10-19/h4-15H,16H2,1-3H3,(H,24,26).
What are the key properties of N-(2,4-dimethylphenyl)-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide?
N-(2,4-dimethylphenyl)-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide has a molecular weight of 424.52 g/mol, XLogP of 4.50, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide is sourced from PubChem (CID 30258183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).