2-(2,4-dimethylphenoxy)-N-(4-methylsulfonylphenyl)acetamide

C17H19NO4S — CID 26239246

IUPAC2-(2,4-dimethylphenoxy)-N-(4-methylsulfonylphenyl)acetamide
SMILESCc1ccc(OCC(=O)Nc2ccc(S(C)(=O)=O)cc2)c(C)c1
InChIInChI=1S/C17H19NO4S/c1-12-4-9-16(13(2)10-12)22-11-17(19)18-14-5-7-15(8-6-14)23(3,20)21/h4-10H,11H2,1-3H3,(H,18,19)
InChIKeyYOYOHYIWHPJERT-UHFFFAOYSA-N
MW333.41 g/mol
LogP2.72
Rot. Bonds5

About 2-(2,4-dimethylphenoxy)-N-(4-methylsulfonylphenyl)acetamide

2-(2,4-dimethylphenoxy)-N-(4-methylsulfonylphenyl)acetamide (PubChem CID 26239246) has the molecular formula C17H19NO4S and a molecular weight of 333.41 g/mol. Its IUPAC name is 2-(2,4-dimethylphenoxy)-N-(4-methylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(2,4-dimethylphenoxy)-N-(4-methylsulfonylphenyl)acetamide
PubChem CID26239246
Molecular FormulaC17H19NO4S
Molecular Weight333.41 g/mol
Exact Mass333.10
IUPAC Name2-(2,4-dimethylphenoxy)-N-(4-methylsulfonylphenyl)acetamide
SMILESCc1ccc(OCC(=O)Nc2ccc(S(C)(=O)=O)cc2)c(C)c1
InChIInChI=1S/C17H19NO4S/c1-12-4-9-16(13(2)10-12)22-11-17(19)18-14-5-7-15(8-6-14)23(3,20)21/h4-10H,11H2,1-3H3,(H,18,19)
InChIKeyYOYOHYIWHPJERT-UHFFFAOYSA-N
XLogP2.72
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[4-[[2-(2,4-dimethylphenoxy)acetyl]amino]phenoxy]acetate
CID 894367
2-(2,4-dimethylphenoxy)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
CID 1090728
N-(3-amino-4-methylphenyl)-2-(2,4-dimethylphenoxy)acetamide
CID 43376403
2-(2,6-dimethylphenoxy)-N-(4-methylsulfonylphenyl)acetamide
CID 26239214
N-[4-[[2-(2,4-dimethylphenoxy)acetyl]amino]phenyl]-3,4-dimethoxybenzamide
CID 108935771
2-(2,4-dimethylphenoxy)-N-(4-pentoxyphenyl)acetamide
CID 19166514
3-[4-[[2-(2,4-dimethylphenoxy)acetyl]amino]phenyl]-N-methylpropanamide
CID 54780793
2-(2-bromo-4-fluorophenoxy)-N-(4-methylsulfonylphenyl)acetamide
CID 18077210
2-(2,4-dimethylanilino)-N-(4-methylsulfonylphenyl)acetamide
CID 42026326
2-(2,5-dimethylphenoxy)-N-(2-methyl-5-methylsulfonylphenyl)acetamide
CID 18196078
2-(4-chloro-3-methylphenoxy)-N-(4-methylsulfonylphenyl)acetamide
CID 18076736
N-(3-chloro-4-fluorophenyl)-2-(2,4-dimethylphenoxy)acetamide
CID 800993

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenoxy)-N-(4-methylsulfonylphenyl)acetamide?
The IUPAC name of 2-(2,4-dimethylphenoxy)-N-(4-methylsulfonylphenyl)acetamide (CID 26239246) is 2-(2,4-dimethylphenoxy)-N-(4-methylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(2,4-dimethylphenoxy)-N-(4-methylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(2,4-dimethylphenoxy)-N-(4-methylsulfonylphenyl)acetamide is Cc1ccc(OCC(=O)Nc2ccc(S(C)(=O)=O)cc2)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenoxy)-N-(4-methylsulfonylphenyl)acetamide?
The InChIKey is YOYOHYIWHPJERT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4S/c1-12-4-9-16(13(2)10-12)22-11-17(19)18-14-5-7-15(8-6-14)23(3,20)21/h4-10H,11H2,1-3H3,(H,18,19).
What are the key properties of 2-(2,4-dimethylphenoxy)-N-(4-methylsulfonylphenyl)acetamide?
2-(2,4-dimethylphenoxy)-N-(4-methylsulfonylphenyl)acetamide has a molecular weight of 333.41 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenoxy)-N-(4-methylsulfonylphenyl)acetamide is sourced from PubChem (CID 26239246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).