2-(2,4-dimethyl-N-methylsulfonylanilino)-N-phenylacetamide

C17H20N2O3S — CID 30168671

IUPAC2-(2,4-dimethyl-N-methylsulfonylanilino)-N-phenylacetamide
SMILESCc1ccc(N(CC(=O)Nc2ccccc2)S(C)(=O)=O)c(C)c1
InChIInChI=1S/C17H20N2O3S/c1-13-9-10-16(14(2)11-13)19(23(3,21)22)12-17(20)18-15-7-5-4-6-8-15/h4-11H,12H2,1-3H3,(H,18,20)
InChIKeyHPQASEMOPWWMNF-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.71
Rot. Bonds5

About 2-(2,4-dimethyl-N-methylsulfonylanilino)-N-phenylacetamide

2-(2,4-dimethyl-N-methylsulfonylanilino)-N-phenylacetamide (PubChem CID 30168671) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is 2-(2,4-dimethyl-N-methylsulfonylanilino)-N-phenylacetamide.

Molecular Properties

Compound Name2-(2,4-dimethyl-N-methylsulfonylanilino)-N-phenylacetamide
PubChem CID30168671
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC Name2-(2,4-dimethyl-N-methylsulfonylanilino)-N-phenylacetamide
SMILESCc1ccc(N(CC(=O)Nc2ccccc2)S(C)(=O)=O)c(C)c1
InChIInChI=1S/C17H20N2O3S/c1-13-9-10-16(14(2)11-13)19(23(3,21)22)12-17(20)18-15-7-5-4-6-8-15/h4-11H,12H2,1-3H3,(H,18,20)
InChIKeyHPQASEMOPWWMNF-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

2-(2,4-dimethyl-N-methylsulfonylanilino)-N-(4-iodophenyl)acetamide
CID 998752
2-(2,4-dimethyl-N-methylsulfonylanilino)-N-(4-fluorophenyl)acetamide
CID 1338023
2-(2,4-dimethyl-N-methylsulfonylanilino)-N-(2-methylphenyl)acetamide
CID 30168672
2-(2,4-dimethyl-N-methylsulfonylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide
CID 4841035
methyl 4-[[2-(2,4-dimethyl-N-methylsulfonylanilino)acetyl]amino]benzoate
CID 2212453
2-(2,4-dimethyl-N-methylsulfonylanilino)-N-(2-phenylphenyl)acetamide
CID 1312515
N-(2-chlorophenyl)-2-(2,4-dimethyl-N-methylsulfonylanilino)acetamide
CID 1203982
N-(4-butylphenyl)-2-(2,4-dimethyl-N-methylsulfonylanilino)acetamide
CID 17201138
N-[4-(cyanomethyl)phenyl]-2-(2,4-dimethyl-N-methylsulfonylanilino)acetamide
CID 1138681
N-(2,6-diethylphenyl)-2-(2,4-dimethyl-N-methylsulfonylanilino)acetamide
CID 113153846
2-(2,4-dimethyl-N-methylsulfonylanilino)-N-(1-phenylethyl)acetamide
CID 44828236
N-(4-chlorophenyl)-2-(2,5-dimethyl-N-methylsulfonylanilino)acetamide
CID 994386

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethyl-N-methylsulfonylanilino)-N-phenylacetamide?
The IUPAC name of 2-(2,4-dimethyl-N-methylsulfonylanilino)-N-phenylacetamide (CID 30168671) is 2-(2,4-dimethyl-N-methylsulfonylanilino)-N-phenylacetamide.
What is the SMILES notation for 2-(2,4-dimethyl-N-methylsulfonylanilino)-N-phenylacetamide?
The canonical SMILES for 2-(2,4-dimethyl-N-methylsulfonylanilino)-N-phenylacetamide is Cc1ccc(N(CC(=O)Nc2ccccc2)S(C)(=O)=O)c(C)c1.
What is the InChIKey of 2-(2,4-dimethyl-N-methylsulfonylanilino)-N-phenylacetamide?
The InChIKey is HPQASEMOPWWMNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-13-9-10-16(14(2)11-13)19(23(3,21)22)12-17(20)18-15-7-5-4-6-8-15/h4-11H,12H2,1-3H3,(H,18,20).
What are the key properties of 2-(2,4-dimethyl-N-methylsulfonylanilino)-N-phenylacetamide?
2-(2,4-dimethyl-N-methylsulfonylanilino)-N-phenylacetamide 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 2-(2,4-dimethyl-N-methylsulfonylanilino)-N-phenylacetamide is sourced from PubChem (CID 30168671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).