2-(4-methylsulfonylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide

C18H21NO4S — CID 51174673

IUPAC2-(4-methylsulfonylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)COc2ccc(S(C)(=O)=O)cc2)c(C)c1
InChIInChI=1S/C18H21NO4S/c1-12-9-13(2)18(14(3)10-12)19-17(20)11-23-15-5-7-16(8-6-15)24(4,21)22/h5-10H,11H2,1-4H3,(H,19,20)
InChIKeyGNSJAMGGPZUKTC-UHFFFAOYSA-N
MW347.44 g/mol
LogP3.03
Rot. Bonds5

About 2-(4-methylsulfonylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide

2-(4-methylsulfonylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide (PubChem CID 51174673) has the molecular formula C18H21NO4S and a molecular weight of 347.44 g/mol. Its IUPAC name is 2-(4-methylsulfonylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-methylsulfonylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide
PubChem CID51174673
Molecular FormulaC18H21NO4S
Molecular Weight347.44 g/mol
Exact Mass347.12
IUPAC Name2-(4-methylsulfonylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)COc2ccc(S(C)(=O)=O)cc2)c(C)c1
InChIInChI=1S/C18H21NO4S/c1-12-9-13(2)18(14(3)10-12)19-17(20)11-23-15-5-7-16(8-6-15)24(4,21)22/h5-10H,11H2,1-4H3,(H,19,20)
InChIKeyGNSJAMGGPZUKTC-UHFFFAOYSA-N
XLogP3.03
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-tert-butylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide
CID 720094
2-[4-[[methyl(methylsulfonyl)amino]methyl]phenoxy]-N-(2,4,6-trimethylphenyl)acetamide
CID 21173330
2-[4-(benzylsulfamoyl)phenoxy]-N-(2,4,6-trimethylphenyl)acetamide
CID 126227786
2-[4-[(3-methylphenyl)sulfamoyl]phenoxy]-N-(2,4,6-trimethylphenyl)acetamide
CID 4995850
4-[2-oxo-2-(2,4,6-trimethylanilino)ethoxy]benzamide
CID 7931575
N-(2-chloro-4,6-dimethylphenyl)-2-(3-methylsulfonylphenoxy)acetamide
CID 55733108
N-(2-methyl-5-methylsulfonylphenyl)-2-(4-methylphenoxy)acetamide
CID 34193972
N-(5-methyl-1,2-oxazol-3-yl)-2-(4-methylsulfonylphenoxy)acetamide
CID 51174485
N-(4-bromo-3-methylphenyl)-2-(4-methylsulfonylphenoxy)acetamide
CID 51174629
N-(5-chloro-2-methylphenyl)-2-(4-methylsulfonylphenoxy)acetamide
CID 78790672
2-(4-chloro-3,5-dimethylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide
CID 873694
[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 4-methylsulfonylbenzoate
CID 55310625

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylsulfonylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide?
The IUPAC name of 2-(4-methylsulfonylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide (CID 51174673) is 2-(4-methylsulfonylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide.
What is the SMILES notation for 2-(4-methylsulfonylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide?
The canonical SMILES for 2-(4-methylsulfonylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide is Cc1cc(C)c(NC(=O)COc2ccc(S(C)(=O)=O)cc2)c(C)c1.
What is the InChIKey of 2-(4-methylsulfonylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide?
The InChIKey is GNSJAMGGPZUKTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4S/c1-12-9-13(2)18(14(3)10-12)19-17(20)11-23-15-5-7-16(8-6-15)24(4,21)22/h5-10H,11H2,1-4H3,(H,19,20).
What are the key properties of 2-(4-methylsulfonylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide?
2-(4-methylsulfonylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide has a molecular weight of 347.44 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylsulfonylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide is sourced from PubChem (CID 51174673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).