2-(3-fluorophenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide

C17H18FNO4S — CID 47013000

IUPAC2-(3-fluorophenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
SMILESCC(NC(=O)COc1cccc(F)c1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C17H18FNO4S/c1-12(13-6-8-16(9-7-13)24(2,21)22)19-17(20)11-23-15-5-3-4-14(18)10-15/h3-10,12H,11H2,1-2H3,(H,19,20)
InChIKeyHFJNAECQAHEMDG-UHFFFAOYSA-N
MW351.40 g/mol
LogP2.49
Rot. Bonds6

About 2-(3-fluorophenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide

2-(3-fluorophenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide (PubChem CID 47013000) has the molecular formula C17H18FNO4S and a molecular weight of 351.40 g/mol. Its IUPAC name is 2-(3-fluorophenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(3-fluorophenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
PubChem CID47013000
Molecular FormulaC17H18FNO4S
Molecular Weight351.40 g/mol
Exact Mass351.09
IUPAC Name2-(3-fluorophenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
SMILESCC(NC(=O)COc1cccc(F)c1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C17H18FNO4S/c1-12(13-6-8-16(9-7-13)24(2,21)22)19-17(20)11-23-15-5-3-4-14(18)10-15/h3-10,12H,11H2,1-2H3,(H,19,20)
InChIKeyHFJNAECQAHEMDG-UHFFFAOYSA-N
XLogP2.49
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 ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-2-naphthalen-2-yloxyacetamide
CID 26468178
2-(3,5-dimethylphenoxy)-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 26468206
2-(3-fluorophenoxy)-N-propan-2-ylacetamide
CID 60626005
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(3-methylphenoxy)acetamide
CID 26561387
2-(4-cyanophenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 51247133
N-[1-(4-methylsulfonylphenyl)ethyl]-2-naphthalen-1-yloxyacetamide
CID 17489088
2-(2-methoxyphenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 18096228
2-(2-methylphenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 18096211
2-(3-methylphenoxy)-N-[(1R)-1-(4-methylphenyl)ethyl]acetamide
CID 99132930
2-(2,5-dimethylphenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 18096229
N-[1-(4-fluorophenyl)ethyl]-2-[4-(propan-2-ylsulfamoyl)phenoxy]acetamide
CID 43906314
2-(3-fluorophenoxy)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide
CID 79252060

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide?
The IUPAC name of 2-(3-fluorophenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide (CID 47013000) is 2-(3-fluorophenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(3-fluorophenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide?
The canonical SMILES for 2-(3-fluorophenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide is CC(NC(=O)COc1cccc(F)c1)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 2-(3-fluorophenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide?
The InChIKey is HFJNAECQAHEMDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO4S/c1-12(13-6-8-16(9-7-13)24(2,21)22)19-17(20)11-23-15-5-3-4-14(18)10-15/h3-10,12H,11H2,1-2H3,(H,19,20).
What are the key properties of 2-(3-fluorophenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide?
2-(3-fluorophenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide has a molecular weight of 351.40 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide is sourced from PubChem (CID 47013000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).