2-(2-ethylphenoxy)-N-(2-fluoro-5-methylsulfonylphenyl)acetamide

C17H18FNO4S — CID 78798614

IUPAC2-(2-ethylphenoxy)-N-(2-fluoro-5-methylsulfonylphenyl)acetamide
SMILESCCc1ccccc1OCC(=O)Nc1cc(S(C)(=O)=O)ccc1F
InChIInChI=1S/C17H18FNO4S/c1-3-12-6-4-5-7-16(12)23-11-17(20)19-15-10-13(24(2,21)22)8-9-14(15)18/h4-10H,3,11H2,1-2H3,(H,19,20)
InChIKeyYHWZFZOLNYASIS-UHFFFAOYSA-N
MW351.40 g/mol
LogP2.81
Rot. Bonds6

About 2-(2-ethylphenoxy)-N-(2-fluoro-5-methylsulfonylphenyl)acetamide

2-(2-ethylphenoxy)-N-(2-fluoro-5-methylsulfonylphenyl)acetamide (PubChem CID 78798614) has the molecular formula C17H18FNO4S and a molecular weight of 351.40 g/mol. Its IUPAC name is 2-(2-ethylphenoxy)-N-(2-fluoro-5-methylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-ethylphenoxy)-N-(2-fluoro-5-methylsulfonylphenyl)acetamide
PubChem CID78798614
Molecular FormulaC17H18FNO4S
Molecular Weight351.40 g/mol
Exact Mass351.09
IUPAC Name2-(2-ethylphenoxy)-N-(2-fluoro-5-methylsulfonylphenyl)acetamide
SMILESCCc1ccccc1OCC(=O)Nc1cc(S(C)(=O)=O)ccc1F
InChIInChI=1S/C17H18FNO4S/c1-3-12-6-4-5-7-16(12)23-11-17(20)19-15-10-13(24(2,21)22)8-9-14(15)18/h4-10H,3,11H2,1-2H3,(H,19,20)
InChIKeyYHWZFZOLNYASIS-UHFFFAOYSA-N
XLogP2.81
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-fluorophenoxy)-N-(2-methyl-5-methylsulfonylphenyl)acetamide
CID 51198508
N-(2-fluoro-5-methylsulfonylphenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 33006391
3-[[2-(2-ethylphenoxy)acetyl]amino]-5-fluoro-4-methylbenzamide
CID 86992288
N-(2-methyl-5-methylsulfonylphenyl)-2-[2-(trifluoromethyl)phenoxy]acetamide
CID 46686699
2-(3-chloro-4-fluorophenoxy)-N-(2-chloro-5-methylsulfonylphenyl)acetamide
CID 7432976
N-(2,3-dimethyl-5-sulfamoylphenyl)-2-(2-fluorophenoxy)acetamide
CID 9141447
N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2-(2-fluorophenoxy)acetamide
CID 3615295
1-(2,5-difluorophenyl)-3-[(2-ethylphenoxy)methyl]urea
CID 108893476
2-(2-acetylphenoxy)-N-(2,5-difluorophenyl)acetamide
CID 7859193
5-(2-fluoro-5-methylsulfonylanilino)-5-oxopentanoic acid
CID 60708181
N-(5-chloro-2-fluorophenyl)-2-(2,3-dimethylphenoxy)acetamide
CID 8759085
methyl 2-[2-(2,5-difluoroanilino)-2-oxoethoxy]benzoate
CID 7763972

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylphenoxy)-N-(2-fluoro-5-methylsulfonylphenyl)acetamide?
The IUPAC name of 2-(2-ethylphenoxy)-N-(2-fluoro-5-methylsulfonylphenyl)acetamide (CID 78798614) is 2-(2-ethylphenoxy)-N-(2-fluoro-5-methylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(2-ethylphenoxy)-N-(2-fluoro-5-methylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(2-ethylphenoxy)-N-(2-fluoro-5-methylsulfonylphenyl)acetamide is CCc1ccccc1OCC(=O)Nc1cc(S(C)(=O)=O)ccc1F.
What is the InChIKey of 2-(2-ethylphenoxy)-N-(2-fluoro-5-methylsulfonylphenyl)acetamide?
The InChIKey is YHWZFZOLNYASIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO4S/c1-3-12-6-4-5-7-16(12)23-11-17(20)19-15-10-13(24(2,21)22)8-9-14(15)18/h4-10H,3,11H2,1-2H3,(H,19,20).
What are the key properties of 2-(2-ethylphenoxy)-N-(2-fluoro-5-methylsulfonylphenyl)acetamide?
2-(2-ethylphenoxy)-N-(2-fluoro-5-methylsulfonylphenyl)acetamide has a molecular weight of 351.40 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylphenoxy)-N-(2-fluoro-5-methylsulfonylphenyl)acetamide is sourced from PubChem (CID 78798614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).