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

C14H19FN2O4S — CID 110714979

IUPAC2-(2-fluorophenoxy)-N-(1-methylsulfonylpiperidin-4-yl)acetamide
SMILESCS(=O)(=O)N1CCC(NC(=O)COc2ccccc2F)CC1
InChIInChI=1S/C14H19FN2O4S/c1-22(19,20)17-8-6-11(7-9-17)16-14(18)10-21-13-5-3-2-4-12(13)15/h2-5,11H,6-10H2,1H3,(H,16,18)
InChIKeyMTXQPMQZUZCIBR-UHFFFAOYSA-N
MW330.38 g/mol
LogP0.74
Rot. Bonds5

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

2-(2-fluorophenoxy)-N-(1-methylsulfonylpiperidin-4-yl)acetamide (PubChem CID 110714979) has the molecular formula C14H19FN2O4S and a molecular weight of 330.38 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)-N-(1-methylsulfonylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2-(2-fluorophenoxy)-N-(1-methylsulfonylpiperidin-4-yl)acetamide
PubChem CID110714979
Molecular FormulaC14H19FN2O4S
Molecular Weight330.38 g/mol
Exact Mass330.10
IUPAC Name2-(2-fluorophenoxy)-N-(1-methylsulfonylpiperidin-4-yl)acetamide
SMILESCS(=O)(=O)N1CCC(NC(=O)COc2ccccc2F)CC1
InChIInChI=1S/C14H19FN2O4S/c1-22(19,20)17-8-6-11(7-9-17)16-14(18)10-21-13-5-3-2-4-12(13)15/h2-5,11H,6-10H2,1H3,(H,16,18)
InChIKeyMTXQPMQZUZCIBR-UHFFFAOYSA-N
XLogP0.74
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-dichlorophenoxy)-N-(1-methylsulfonylpiperidin-4-yl)acetamide
CID 55566141
2-(2-fluorophenoxy)-N-piperidin-4-ylacetamide
CID 110488066
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(2-fluorophenoxy)acetamide
CID 8590108
4-[[2-(2-fluorophenoxy)acetyl]amino]-N-phenylpiperidine-1-carboxamide
CID 51324417
2-(4-tert-butylphenoxy)-N-(1-methylsulfonylpiperidin-4-yl)acetamide
CID 46419745
N-(3,3-dimethylcyclopentyl)-2-(2-fluorophenoxy)acetamide
CID 115880485
N-(1-ethylsulfonylpiperidin-4-yl)-2-(4-fluorophenoxy)acetamide
CID 110823029
2-(2-fluorophenoxy)-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]acetamide
CID 90634253
N-[(3S)-1-(3,3-dimethylbutyl)piperidin-3-yl]-2-(2-fluorophenoxy)acetamide
CID 45115607
N-cyclopropyl-2-(2-hydroxyphenoxy)acetamide
CID 2687934
2,3-difluoro-N-(1-methylsulfonylpiperidin-4-yl)benzamide
CID 62660672
2-(2-ethoxyphenoxy)-N-(1-methylpiperidin-4-yl)acetamide
CID 86907088

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenoxy)-N-(1-methylsulfonylpiperidin-4-yl)acetamide?
The IUPAC name of 2-(2-fluorophenoxy)-N-(1-methylsulfonylpiperidin-4-yl)acetamide (CID 110714979) is 2-(2-fluorophenoxy)-N-(1-methylsulfonylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2-(2-fluorophenoxy)-N-(1-methylsulfonylpiperidin-4-yl)acetamide?
The canonical SMILES for 2-(2-fluorophenoxy)-N-(1-methylsulfonylpiperidin-4-yl)acetamide is CS(=O)(=O)N1CCC(NC(=O)COc2ccccc2F)CC1.
What is the InChIKey of 2-(2-fluorophenoxy)-N-(1-methylsulfonylpiperidin-4-yl)acetamide?
The InChIKey is MTXQPMQZUZCIBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O4S/c1-22(19,20)17-8-6-11(7-9-17)16-14(18)10-21-13-5-3-2-4-12(13)15/h2-5,11H,6-10H2,1H3,(H,16,18).
What are the key properties of 2-(2-fluorophenoxy)-N-(1-methylsulfonylpiperidin-4-yl)acetamide?
2-(2-fluorophenoxy)-N-(1-methylsulfonylpiperidin-4-yl)acetamide has a molecular weight of 330.38 g/mol, XLogP of 0.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenoxy)-N-(1-methylsulfonylpiperidin-4-yl)acetamide is sourced from PubChem (CID 110714979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).