N-(1-ethylsulfonylpiperidin-4-yl)-2-(4-fluorophenoxy)acetamide

C15H21FN2O4S — CID 110823029

IUPACN-(1-ethylsulfonylpiperidin-4-yl)-2-(4-fluorophenoxy)acetamide
SMILESCCS(=O)(=O)N1CCC(NC(=O)COc2ccc(F)cc2)CC1
InChIInChI=1S/C15H21FN2O4S/c1-2-23(20,21)18-9-7-13(8-10-18)17-15(19)11-22-14-5-3-12(16)4-6-14/h3-6,13H,2,7-11H2,1H3,(H,17,19)
InChIKeyWVWRUAAIMSXXQL-UHFFFAOYSA-N
MW344.41 g/mol
LogP1.13
Rot. Bonds6

About N-(1-ethylsulfonylpiperidin-4-yl)-2-(4-fluorophenoxy)acetamide

N-(1-ethylsulfonylpiperidin-4-yl)-2-(4-fluorophenoxy)acetamide (PubChem CID 110823029) has the molecular formula C15H21FN2O4S and a molecular weight of 344.41 g/mol. Its IUPAC name is N-(1-ethylsulfonylpiperidin-4-yl)-2-(4-fluorophenoxy)acetamide.

Molecular Properties

Compound NameN-(1-ethylsulfonylpiperidin-4-yl)-2-(4-fluorophenoxy)acetamide
PubChem CID110823029
Molecular FormulaC15H21FN2O4S
Molecular Weight344.41 g/mol
Exact Mass344.12
IUPAC NameN-(1-ethylsulfonylpiperidin-4-yl)-2-(4-fluorophenoxy)acetamide
SMILESCCS(=O)(=O)N1CCC(NC(=O)COc2ccc(F)cc2)CC1
InChIInChI=1S/C15H21FN2O4S/c1-2-23(20,21)18-9-7-13(8-10-18)17-15(19)11-22-14-5-3-12(16)4-6-14/h3-6,13H,2,7-11H2,1H3,(H,17,19)
InChIKeyWVWRUAAIMSXXQL-UHFFFAOYSA-N
XLogP1.13
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenoxy)-N-(1-ethylsulfonylpiperidin-4-yl)acetamide
CID 108561456
N-(1-ethylsulfonylpiperidin-4-yl)-3-(4-fluorophenyl)propanamide
CID 110823021
N-(1-acetylpiperidin-4-yl)-2-[4-(4-fluorobenzoyl)phenoxy]acetamide
CID 55553899
2-(4-ethoxyphenoxy)-N-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]acetamide
CID 108556268
2-(4-tert-butylphenoxy)-N-(1-methylsulfonylpiperidin-4-yl)acetamide
CID 46419745
2-(4-tert-butylphenoxy)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]acetamide
CID 86812678
2-(2-fluorophenoxy)-N-(1-methylsulfonylpiperidin-4-yl)acetamide
CID 110714979
2-(3,5-difluorophenoxy)-N-(1-ethylpiperidin-4-yl)acetamide
CID 126804707
[2-(cyclopentylamino)-2-oxoethyl] 2-(4-fluorophenoxy)acetate
CID 7791687
N-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]-2-(4-ethoxyphenoxy)acetamide
CID 108562193
N-(1-butylsulfonylpiperidin-4-yl)-2-(4-ethoxyphenyl)acetamide
CID 108561311
1-ethylsulfonyl-4-(4-fluorophenoxy)piperidine
CID 110396981

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylsulfonylpiperidin-4-yl)-2-(4-fluorophenoxy)acetamide?
The IUPAC name of N-(1-ethylsulfonylpiperidin-4-yl)-2-(4-fluorophenoxy)acetamide (CID 110823029) is N-(1-ethylsulfonylpiperidin-4-yl)-2-(4-fluorophenoxy)acetamide.
What is the SMILES notation for N-(1-ethylsulfonylpiperidin-4-yl)-2-(4-fluorophenoxy)acetamide?
The canonical SMILES for N-(1-ethylsulfonylpiperidin-4-yl)-2-(4-fluorophenoxy)acetamide is CCS(=O)(=O)N1CCC(NC(=O)COc2ccc(F)cc2)CC1.
What is the InChIKey of N-(1-ethylsulfonylpiperidin-4-yl)-2-(4-fluorophenoxy)acetamide?
The InChIKey is WVWRUAAIMSXXQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O4S/c1-2-23(20,21)18-9-7-13(8-10-18)17-15(19)11-22-14-5-3-12(16)4-6-14/h3-6,13H,2,7-11H2,1H3,(H,17,19).
What are the key properties of N-(1-ethylsulfonylpiperidin-4-yl)-2-(4-fluorophenoxy)acetamide?
N-(1-ethylsulfonylpiperidin-4-yl)-2-(4-fluorophenoxy)acetamide has a molecular weight of 344.41 g/mol, XLogP of 1.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylsulfonylpiperidin-4-yl)-2-(4-fluorophenoxy)acetamide is sourced from PubChem (CID 110823029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).