2-(2,6-dimethylphenoxy)-N-(4-methylsulfonylphenyl)acetamide

C17H19NO4S — CID 26239214

IUPAC2-(2,6-dimethylphenoxy)-N-(4-methylsulfonylphenyl)acetamide
SMILESCc1cccc(C)c1OCC(=O)Nc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C17H19NO4S/c1-12-5-4-6-13(2)17(12)22-11-16(19)18-14-7-9-15(10-8-14)23(3,20)21/h4-10H,11H2,1-3H3,(H,18,19)
InChIKeySAVRDWHDTIDKKS-UHFFFAOYSA-N
MW333.41 g/mol
LogP2.72
Rot. Bonds5

About 2-(2,6-dimethylphenoxy)-N-(4-methylsulfonylphenyl)acetamide

2-(2,6-dimethylphenoxy)-N-(4-methylsulfonylphenyl)acetamide (PubChem CID 26239214) has the molecular formula C17H19NO4S and a molecular weight of 333.41 g/mol. Its IUPAC name is 2-(2,6-dimethylphenoxy)-N-(4-methylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(2,6-dimethylphenoxy)-N-(4-methylsulfonylphenyl)acetamide
PubChem CID26239214
Molecular FormulaC17H19NO4S
Molecular Weight333.41 g/mol
Exact Mass333.10
IUPAC Name2-(2,6-dimethylphenoxy)-N-(4-methylsulfonylphenyl)acetamide
SMILESCc1cccc(C)c1OCC(=O)Nc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C17H19NO4S/c1-12-5-4-6-13(2)17(12)22-11-16(19)18-14-7-9-15(10-8-14)23(3,20)21/h4-10H,11H2,1-3H3,(H,18,19)
InChIKeySAVRDWHDTIDKKS-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

2-(2,6-dimethylphenoxy)-N-(4-fluorophenyl)acetamide
CID 776559
2-(2,6-dimethylphenoxy)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 2212028
2-(2,6-dimethylphenoxy)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide
CID 1015505
2-(2,6-dimethylphenoxy)-N-(4-methoxyphenyl)acetamide
CID 835384
N-(4-benzoylphenyl)-2-(2,6-dimethylphenoxy)acetamide
CID 1020136
2-(2,4-dimethylphenoxy)-N-(4-methylsulfonylphenyl)acetamide
CID 26239246
2-(4-chloro-3-methylphenoxy)-N-(4-methylsulfonylphenyl)acetamide
CID 18076736
2-(2,6-dimethylphenoxy)-N-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 55474451
2-(2,6-dimethylphenoxy)-N-[4-(3-methylbutoxy)phenyl]acetamide
CID 4949731
2-(2-formyl-6-methylphenoxy)-N-(4-methylphenyl)acetamide
CID 97179244
N-(4-bromo-3-methylphenyl)-2-(4-methylsulfonylphenoxy)acetamide
CID 51174629
2-(2,6-dimethylphenoxy)-N-[4-(3-phenylpropoxy)phenyl]acetamide
CID 17130083

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylphenoxy)-N-(4-methylsulfonylphenyl)acetamide?
The IUPAC name of 2-(2,6-dimethylphenoxy)-N-(4-methylsulfonylphenyl)acetamide (CID 26239214) is 2-(2,6-dimethylphenoxy)-N-(4-methylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(2,6-dimethylphenoxy)-N-(4-methylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(2,6-dimethylphenoxy)-N-(4-methylsulfonylphenyl)acetamide is Cc1cccc(C)c1OCC(=O)Nc1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 2-(2,6-dimethylphenoxy)-N-(4-methylsulfonylphenyl)acetamide?
The InChIKey is SAVRDWHDTIDKKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4S/c1-12-5-4-6-13(2)17(12)22-11-16(19)18-14-7-9-15(10-8-14)23(3,20)21/h4-10H,11H2,1-3H3,(H,18,19).
What are the key properties of 2-(2,6-dimethylphenoxy)-N-(4-methylsulfonylphenyl)acetamide?
2-(2,6-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-(2,6-dimethylphenoxy)-N-(4-methylsulfonylphenyl)acetamide is sourced from PubChem (CID 26239214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).