2-(2-fluorophenoxy)-N-(2-methyl-5-prop-2-enylsulfonylphenyl)acetamide

C18H18FNO4S — CID 9246477

IUPAC2-(2-fluorophenoxy)-N-(2-methyl-5-prop-2-enylsulfonylphenyl)acetamide
SMILESC=CCS(=O)(=O)c1ccc(C)c(NC(=O)COc2ccccc2F)c1
InChIInChI=1S/C18H18FNO4S/c1-3-10-25(22,23)14-9-8-13(2)16(11-14)20-18(21)12-24-17-7-5-4-6-15(17)19/h3-9,11H,1,10,12H2,2H3,(H,20,21)
InChIKeyOLDYPYLIDXZGQS-UHFFFAOYSA-N
MW363.41 g/mol
LogP3.11
Rot. Bonds7

About 2-(2-fluorophenoxy)-N-(2-methyl-5-prop-2-enylsulfonylphenyl)acetamide

2-(2-fluorophenoxy)-N-(2-methyl-5-prop-2-enylsulfonylphenyl)acetamide (PubChem CID 9246477) has the molecular formula C18H18FNO4S and a molecular weight of 363.41 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)-N-(2-methyl-5-prop-2-enylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-fluorophenoxy)-N-(2-methyl-5-prop-2-enylsulfonylphenyl)acetamide
PubChem CID9246477
Molecular FormulaC18H18FNO4S
Molecular Weight363.41 g/mol
Exact Mass363.09
IUPAC Name2-(2-fluorophenoxy)-N-(2-methyl-5-prop-2-enylsulfonylphenyl)acetamide
SMILESC=CCS(=O)(=O)c1ccc(C)c(NC(=O)COc2ccccc2F)c1
InChIInChI=1S/C18H18FNO4S/c1-3-10-25(22,23)14-9-8-13(2)16(11-14)20-18(21)12-24-17-7-5-4-6-15(17)19/h3-9,11H,1,10,12H2,2H3,(H,20,21)
InChIKeyOLDYPYLIDXZGQS-UHFFFAOYSA-N
XLogP3.11
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(2-methylphenoxy)-N-(2-methyl-5-prop-2-enylsulfonylphenyl)acetamide
CID 9246472
2-(2-fluorophenoxy)-N-(2-methyl-5-methylsulfonylphenyl)acetamide
CID 51198508
N-(2,3-dimethyl-5-sulfamoylphenyl)-2-(2-fluorophenoxy)acetamide
CID 9141447
2,4-difluoro-N-(2-methyl-5-prop-2-enylsulfonylphenyl)benzamide
CID 9246462
N-(2-methyl-5-methylsulfonylphenyl)-2-[2-(trifluoromethyl)phenoxy]acetamide
CID 46686699
2-(2-fluorophenoxy)-N-[2-(methanesulfonamido)phenyl]acetamide
CID 35368287
N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2-(2-fluorophenoxy)acetamide
CID 3615295
N-(2-fluoro-4-methylphenyl)-2-(2-fluorophenoxy)acetamide
CID 7815061
2-(2-acetylphenoxy)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]acetamide
CID 7859322
2-(2-acetamidophenoxy)-N-(5-fluoro-2-methylphenyl)acetamide
CID 2472167
N-(3-chloro-4-fluorophenyl)-2-(2-methyl-5-prop-2-enylsulfonylanilino)acetamide
CID 35823056
2-(2-cyanophenoxy)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]acetamide
CID 7382540

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenoxy)-N-(2-methyl-5-prop-2-enylsulfonylphenyl)acetamide?
The IUPAC name of 2-(2-fluorophenoxy)-N-(2-methyl-5-prop-2-enylsulfonylphenyl)acetamide (CID 9246477) is 2-(2-fluorophenoxy)-N-(2-methyl-5-prop-2-enylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(2-fluorophenoxy)-N-(2-methyl-5-prop-2-enylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(2-fluorophenoxy)-N-(2-methyl-5-prop-2-enylsulfonylphenyl)acetamide is C=CCS(=O)(=O)c1ccc(C)c(NC(=O)COc2ccccc2F)c1.
What is the InChIKey of 2-(2-fluorophenoxy)-N-(2-methyl-5-prop-2-enylsulfonylphenyl)acetamide?
The InChIKey is OLDYPYLIDXZGQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO4S/c1-3-10-25(22,23)14-9-8-13(2)16(11-14)20-18(21)12-24-17-7-5-4-6-15(17)19/h3-9,11H,1,10,12H2,2H3,(H,20,21).
What are the key properties of 2-(2-fluorophenoxy)-N-(2-methyl-5-prop-2-enylsulfonylphenyl)acetamide?
2-(2-fluorophenoxy)-N-(2-methyl-5-prop-2-enylsulfonylphenyl)acetamide has a molecular weight of 363.41 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenoxy)-N-(2-methyl-5-prop-2-enylsulfonylphenyl)acetamide is sourced from PubChem (CID 9246477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).