N-(2,4-dimethylphenyl)-2-(N-methylsulfonylanilino)acetamide

C17H20N2O3S — CID 51343025

IUPACN-(2,4-dimethylphenyl)-2-(N-methylsulfonylanilino)acetamide
SMILESCc1ccc(NC(=O)CN(c2ccccc2)S(C)(=O)=O)c(C)c1
InChIInChI=1S/C17H20N2O3S/c1-13-9-10-16(14(2)11-13)18-17(20)12-19(23(3,21)22)15-7-5-4-6-8-15/h4-11H,12H2,1-3H3,(H,18,20)
InChIKeyRHASXAWXPWDWJS-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.71
Rot. Bonds5

About N-(2,4-dimethylphenyl)-2-(N-methylsulfonylanilino)acetamide

N-(2,4-dimethylphenyl)-2-(N-methylsulfonylanilino)acetamide (PubChem CID 51343025) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-2-(N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-2-(N-methylsulfonylanilino)acetamide
PubChem CID51343025
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC NameN-(2,4-dimethylphenyl)-2-(N-methylsulfonylanilino)acetamide
SMILESCc1ccc(NC(=O)CN(c2ccccc2)S(C)(=O)=O)c(C)c1
InChIInChI=1S/C17H20N2O3S/c1-13-9-10-16(14(2)11-13)18-17(20)12-19(23(3,21)22)15-7-5-4-6-8-15/h4-11H,12H2,1-3H3,(H,18,20)
InChIKeyRHASXAWXPWDWJS-UHFFFAOYSA-N
XLogP2.71
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,4-dimethylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)acetamide
CID 1102314
N-(2-bromo-4-methylphenyl)-2-(N-methylsulfonylanilino)acetamide
CID 113153680
2-(3-acetyl-N-methylsulfonylanilino)-N-(2,4-dimethylphenyl)acetamide
CID 113155566
2-(N-methylsulfonylanilino)-N-(2,4,6-trimethylphenyl)acetamide
CID 113153664
2-(2-chloro-N-methylsulfonylanilino)-N-(2,4-dimethylphenyl)acetamide
CID 51343170
2-(2,4-dimethyl-N-methylsulfonylanilino)-N-(2-methylphenyl)acetamide
CID 30168672
N-(2,4-dimethylphenyl)-2-(2-methoxy-N-methylsulfonylanilino)acetamide
CID 1320489
N-(4-chloro-2-methylphenyl)-2-(3-methyl-N-methylsulfonylanilino)acetamide
CID 51342537
N-(2,4-dimethylphenyl)-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide
CID 30258183
2-(2,6-diethyl-N-methylsulfonylanilino)-N-(2,4-dimethylphenyl)acetamide
CID 113154437
2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-(2,4-dimethylphenyl)acetamide
CID 27042991
2-(2,4-dimethyl-N-methylsulfonylanilino)-N-phenylacetamide
CID 30168671

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-2-(N-methylsulfonylanilino)acetamide?
The IUPAC name of N-(2,4-dimethylphenyl)-2-(N-methylsulfonylanilino)acetamide (CID 51343025) is N-(2,4-dimethylphenyl)-2-(N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-2-(N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-2-(N-methylsulfonylanilino)acetamide is Cc1ccc(NC(=O)CN(c2ccccc2)S(C)(=O)=O)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-2-(N-methylsulfonylanilino)acetamide?
The InChIKey is RHASXAWXPWDWJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-13-9-10-16(14(2)11-13)18-17(20)12-19(23(3,21)22)15-7-5-4-6-8-15/h4-11H,12H2,1-3H3,(H,18,20).
What are the key properties of N-(2,4-dimethylphenyl)-2-(N-methylsulfonylanilino)acetamide?
N-(2,4-dimethylphenyl)-2-(N-methylsulfonylanilino)acetamide has a molecular weight of 332.43 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-2-(N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 51343025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).