2-(2,5-dimethylphenoxy)-N-(2-methyl-5-methylsulfonylphenyl)acetamide

C18H21NO4S — CID 18196078

IUPAC2-(2,5-dimethylphenoxy)-N-(2-methyl-5-methylsulfonylphenyl)acetamide
SMILESCc1ccc(C)c(OCC(=O)Nc2cc(S(C)(=O)=O)ccc2C)c1
InChIInChI=1S/C18H21NO4S/c1-12-5-6-14(3)17(9-12)23-11-18(20)19-16-10-15(24(4,21)22)8-7-13(16)2/h5-10H,11H2,1-4H3,(H,19,20)
InChIKeyYJAROGJSRSPMME-UHFFFAOYSA-N
MW347.44 g/mol
LogP3.03
Rot. Bonds5

About 2-(2,5-dimethylphenoxy)-N-(2-methyl-5-methylsulfonylphenyl)acetamide

2-(2,5-dimethylphenoxy)-N-(2-methyl-5-methylsulfonylphenyl)acetamide (PubChem CID 18196078) has the molecular formula C18H21NO4S and a molecular weight of 347.44 g/mol. Its IUPAC name is 2-(2,5-dimethylphenoxy)-N-(2-methyl-5-methylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(2,5-dimethylphenoxy)-N-(2-methyl-5-methylsulfonylphenyl)acetamide
PubChem CID18196078
Molecular FormulaC18H21NO4S
Molecular Weight347.44 g/mol
Exact Mass347.12
IUPAC Name2-(2,5-dimethylphenoxy)-N-(2-methyl-5-methylsulfonylphenyl)acetamide
SMILESCc1ccc(C)c(OCC(=O)Nc2cc(S(C)(=O)=O)ccc2C)c1
InChIInChI=1S/C18H21NO4S/c1-12-5-6-14(3)17(9-12)23-11-18(20)19-16-10-15(24(4,21)22)8-7-13(16)2/h5-10H,11H2,1-4H3,(H,19,20)
InChIKeyYJAROGJSRSPMME-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

N-(2-methyl-5-methylsulfonylphenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 26811243
N-(2-methyl-5-methylsulfonylphenyl)-2-(4-methylphenoxy)acetamide
CID 34193972
2-(2-fluorophenoxy)-N-(2-methyl-5-methylsulfonylphenyl)acetamide
CID 51198508
2-(2,5-dimethylphenoxy)-N-(5-fluoro-2-methylphenyl)acetamide
CID 35728477
N-(2-methyl-5-methylsulfonylphenyl)-2-[2-(trifluoromethyl)phenoxy]acetamide
CID 46686699
2-(2,5-dimethylphenoxy)-N-[2-[[2-(2,5-dimethylphenoxy)acetyl]amino]phenyl]acetamide
CID 1012654
2-(2,5-dimethylphenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 18096229
2-amino-N-[3-[[2-(2,5-dimethylphenoxy)acetyl]amino]-4-methylphenyl]acetamide
CID 39192494
2-(2,5-dimethylphenoxy)-N-(2-methoxy-5-methylphenyl)acetamide
CID 807483
2-(2,4-dimethylphenoxy)-N-(4-methylsulfonylphenyl)acetamide
CID 26239246
3-[[2-(2,5-dimethylphenoxy)acetyl]amino]-N-ethyl-4-methylbenzamide
CID 87001573
2-(2,3-dimethylphenoxy)-N-(2,5-dimethylphenyl)acetamide
CID 720593

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenoxy)-N-(2-methyl-5-methylsulfonylphenyl)acetamide?
The IUPAC name of 2-(2,5-dimethylphenoxy)-N-(2-methyl-5-methylsulfonylphenyl)acetamide (CID 18196078) is 2-(2,5-dimethylphenoxy)-N-(2-methyl-5-methylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(2,5-dimethylphenoxy)-N-(2-methyl-5-methylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(2,5-dimethylphenoxy)-N-(2-methyl-5-methylsulfonylphenyl)acetamide is Cc1ccc(C)c(OCC(=O)Nc2cc(S(C)(=O)=O)ccc2C)c1.
What is the InChIKey of 2-(2,5-dimethylphenoxy)-N-(2-methyl-5-methylsulfonylphenyl)acetamide?
The InChIKey is YJAROGJSRSPMME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4S/c1-12-5-6-14(3)17(9-12)23-11-18(20)19-16-10-15(24(4,21)22)8-7-13(16)2/h5-10H,11H2,1-4H3,(H,19,20).
What are the key properties of 2-(2,5-dimethylphenoxy)-N-(2-methyl-5-methylsulfonylphenyl)acetamide?
2-(2,5-dimethylphenoxy)-N-(2-methyl-5-methylsulfonylphenyl)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-(2,5-dimethylphenoxy)-N-(2-methyl-5-methylsulfonylphenyl)acetamide is sourced from PubChem (CID 18196078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).