N-[(2-fluorophenyl)methyl]-N-methyl-2-(4-methylsulfonylphenoxy)acetamide

C17H18FNO4S — CID 78814812

IUPACN-[(2-fluorophenyl)methyl]-N-methyl-2-(4-methylsulfonylphenoxy)acetamide
SMILESCN(Cc1ccccc1F)C(=O)COc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C17H18FNO4S/c1-19(11-13-5-3-4-6-16(13)18)17(20)12-23-14-7-9-15(10-8-14)24(2,21)22/h3-10H,11-12H2,1-2H3
InChIKeyZCBDHIAWWAFZOU-UHFFFAOYSA-N
MW351.40 g/mol
LogP2.27
Rot. Bonds6

About N-[(2-fluorophenyl)methyl]-N-methyl-2-(4-methylsulfonylphenoxy)acetamide

N-[(2-fluorophenyl)methyl]-N-methyl-2-(4-methylsulfonylphenoxy)acetamide (PubChem CID 78814812) has the molecular formula C17H18FNO4S and a molecular weight of 351.40 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-N-methyl-2-(4-methylsulfonylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-N-methyl-2-(4-methylsulfonylphenoxy)acetamide
PubChem CID78814812
Molecular FormulaC17H18FNO4S
Molecular Weight351.40 g/mol
Exact Mass351.09
IUPAC NameN-[(2-fluorophenyl)methyl]-N-methyl-2-(4-methylsulfonylphenoxy)acetamide
SMILESCN(Cc1ccccc1F)C(=O)COc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C17H18FNO4S/c1-19(11-13-5-3-4-6-16(13)18)17(20)12-23-14-7-9-15(10-8-14)24(2,21)22/h3-10H,11-12H2,1-2H3
InChIKeyZCBDHIAWWAFZOU-UHFFFAOYSA-N
XLogP2.27
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-cyanophenoxy)-N-[(2-fluorophenyl)methyl]-N-methylacetamide
CID 2527758
2-(3-fluorophenoxy)-N-[(2-fluorophenyl)methyl]-N-methylacetamide
CID 78768927
N-methyl-2-(4-methylsulfonylphenoxy)-N-(thiophen-2-ylmethyl)acetamide
CID 51174659
N-[(2-fluorophenyl)methyl]-N-methyl-2-(2,4,6-trimethylphenoxy)acetamide
CID 112789802
[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-(2-fluorophenoxy)acetate
CID 55398107
N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-(4-methylsulfonylphenoxy)acetamide
CID 55403495
[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-fluoro-5-sulfamoylbenzoate
CID 8563364
N,N-dibenzyl-2-[4-[(2-fluorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide
CID 43888664
N-benzyl-2-[4-[benzyl(methyl)sulfamoyl]phenoxy]-N-methylacetamide
CID 126316979
[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 55397130
[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-methyl-5-sulfamoylbenzoate
CID 43033076
2-(4-aminophenoxy)-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 61028416

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-N-methyl-2-(4-methylsulfonylphenoxy)acetamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-N-methyl-2-(4-methylsulfonylphenoxy)acetamide (CID 78814812) is N-[(2-fluorophenyl)methyl]-N-methyl-2-(4-methylsulfonylphenoxy)acetamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-N-methyl-2-(4-methylsulfonylphenoxy)acetamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-N-methyl-2-(4-methylsulfonylphenoxy)acetamide is CN(Cc1ccccc1F)C(=O)COc1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-N-methyl-2-(4-methylsulfonylphenoxy)acetamide?
The InChIKey is ZCBDHIAWWAFZOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO4S/c1-19(11-13-5-3-4-6-16(13)18)17(20)12-23-14-7-9-15(10-8-14)24(2,21)22/h3-10H,11-12H2,1-2H3.
What are the key properties of N-[(2-fluorophenyl)methyl]-N-methyl-2-(4-methylsulfonylphenoxy)acetamide?
N-[(2-fluorophenyl)methyl]-N-methyl-2-(4-methylsulfonylphenoxy)acetamide has a molecular weight of 351.40 g/mol, XLogP of 2.27, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-N-methyl-2-(4-methylsulfonylphenoxy)acetamide is sourced from PubChem (CID 78814812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).