N-(2-fluoro-5-methylsulfonylphenyl)-2-(4-propan-2-ylphenoxy)acetamide

C18H20FNO4S — CID 33006391

IUPACN-(2-fluoro-5-methylsulfonylphenyl)-2-(4-propan-2-ylphenoxy)acetamide
SMILESCC(C)c1ccc(OCC(=O)Nc2cc(S(C)(=O)=O)ccc2F)cc1
InChIInChI=1S/C18H20FNO4S/c1-12(2)13-4-6-14(7-5-13)24-11-18(21)20-17-10-15(25(3,22)23)8-9-16(17)19/h4-10,12H,11H2,1-3H3,(H,20,21)
InChIKeyCVRMAKRIOIIOPK-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.37
Rot. Bonds6

About N-(2-fluoro-5-methylsulfonylphenyl)-2-(4-propan-2-ylphenoxy)acetamide

N-(2-fluoro-5-methylsulfonylphenyl)-2-(4-propan-2-ylphenoxy)acetamide (PubChem CID 33006391) has the molecular formula C18H20FNO4S and a molecular weight of 365.43 g/mol. Its IUPAC name is N-(2-fluoro-5-methylsulfonylphenyl)-2-(4-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-(2-fluoro-5-methylsulfonylphenyl)-2-(4-propan-2-ylphenoxy)acetamide
PubChem CID33006391
Molecular FormulaC18H20FNO4S
Molecular Weight365.43 g/mol
Exact Mass365.11
IUPAC NameN-(2-fluoro-5-methylsulfonylphenyl)-2-(4-propan-2-ylphenoxy)acetamide
SMILESCC(C)c1ccc(OCC(=O)Nc2cc(S(C)(=O)=O)ccc2F)cc1
InChIInChI=1S/C18H20FNO4S/c1-12(2)13-4-6-14(7-5-13)24-11-18(21)20-17-10-15(25(3,22)23)8-9-16(17)19/h4-10,12H,11H2,1-3H3,(H,20,21)
InChIKeyCVRMAKRIOIIOPK-UHFFFAOYSA-N
XLogP3.37
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chloro-4-fluorophenoxy)-N-(2-chloro-5-methylsulfonylphenyl)acetamide
CID 7432976
N-(5-chloro-2-methylphenyl)-2-(4-methylsulfonylphenoxy)acetamide
CID 78790672
2-(2-ethylphenoxy)-N-(2-fluoro-5-methylsulfonylphenyl)acetamide
CID 78798614
N-(2-methyl-5-methylsulfonylphenyl)-2-(4-methylphenoxy)acetamide
CID 34193972
N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-(4-propan-2-ylphenoxy)acetamide
CID 1075302
N-(2-chloro-4-fluorophenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 26216318
5-(2-fluoro-5-methylsulfonylanilino)-3-methyl-5-oxopentanoic acid
CID 62964722
2-(4-chlorophenoxy)-N-(3-methylsulfonylphenyl)acetamide
CID 9137559
2-[4-(2-methylpropylsulfamoyl)phenoxy]-N-(2,3,4-trifluorophenyl)acetamide
CID 28552672
2-(4-aminophenoxy)-N-(2-fluoro-5-methylphenyl)acetamide
CID 61094742
N-(2,5-difluorophenyl)-2-(4-ethoxyphenoxy)acetamide
CID 16552755
N-(2-fluoro-5-methylsulfonylphenyl)-2-(2-propan-2-ylimidazol-1-yl)acetamide
CID 75500271

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-5-methylsulfonylphenyl)-2-(4-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-(2-fluoro-5-methylsulfonylphenyl)-2-(4-propan-2-ylphenoxy)acetamide (CID 33006391) is N-(2-fluoro-5-methylsulfonylphenyl)-2-(4-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-(2-fluoro-5-methylsulfonylphenyl)-2-(4-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-(2-fluoro-5-methylsulfonylphenyl)-2-(4-propan-2-ylphenoxy)acetamide is CC(C)c1ccc(OCC(=O)Nc2cc(S(C)(=O)=O)ccc2F)cc1.
What is the InChIKey of N-(2-fluoro-5-methylsulfonylphenyl)-2-(4-propan-2-ylphenoxy)acetamide?
The InChIKey is CVRMAKRIOIIOPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO4S/c1-12(2)13-4-6-14(7-5-13)24-11-18(21)20-17-10-15(25(3,22)23)8-9-16(17)19/h4-10,12H,11H2,1-3H3,(H,20,21).
What are the key properties of N-(2-fluoro-5-methylsulfonylphenyl)-2-(4-propan-2-ylphenoxy)acetamide?
N-(2-fluoro-5-methylsulfonylphenyl)-2-(4-propan-2-ylphenoxy)acetamide has a molecular weight of 365.43 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-5-methylsulfonylphenyl)-2-(4-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 33006391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).