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

C15H21FN2O3S — CID 38174080

IUPACN-(1-ethylsulfonylpiperidin-4-yl)-2-(2-fluorophenyl)acetamide
SMILESCCS(=O)(=O)N1CCC(NC(=O)Cc2ccccc2F)CC1
InChIInChI=1S/C15H21FN2O3S/c1-2-22(20,21)18-9-7-13(8-10-18)17-15(19)11-12-5-3-4-6-14(12)16/h3-6,13H,2,7-11H2,1H3,(H,17,19)
InChIKeyFHLMJJMROYZVKV-UHFFFAOYSA-N
MW328.41 g/mol
LogP1.30
Rot. Bonds5

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

N-(1-ethylsulfonylpiperidin-4-yl)-2-(2-fluorophenyl)acetamide (PubChem CID 38174080) has the molecular formula C15H21FN2O3S and a molecular weight of 328.41 g/mol. Its IUPAC name is N-(1-ethylsulfonylpiperidin-4-yl)-2-(2-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-(1-ethylsulfonylpiperidin-4-yl)-2-(2-fluorophenyl)acetamide
PubChem CID38174080
Molecular FormulaC15H21FN2O3S
Molecular Weight328.41 g/mol
Exact Mass328.13
IUPAC NameN-(1-ethylsulfonylpiperidin-4-yl)-2-(2-fluorophenyl)acetamide
SMILESCCS(=O)(=O)N1CCC(NC(=O)Cc2ccccc2F)CC1
InChIInChI=1S/C15H21FN2O3S/c1-2-22(20,21)18-9-7-13(8-10-18)17-15(19)11-12-5-3-4-6-14(12)16/h3-6,13H,2,7-11H2,1H3,(H,17,19)
InChIKeyFHLMJJMROYZVKV-UHFFFAOYSA-N
XLogP1.30
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethylsulfonylpiperidin-4-yl)-2-(2-fluorophenyl)acetamide?
The IUPAC name of N-(1-ethylsulfonylpiperidin-4-yl)-2-(2-fluorophenyl)acetamide (CID 38174080) is N-(1-ethylsulfonylpiperidin-4-yl)-2-(2-fluorophenyl)acetamide.
What is the SMILES notation for N-(1-ethylsulfonylpiperidin-4-yl)-2-(2-fluorophenyl)acetamide?
The canonical SMILES for N-(1-ethylsulfonylpiperidin-4-yl)-2-(2-fluorophenyl)acetamide is CCS(=O)(=O)N1CCC(NC(=O)Cc2ccccc2F)CC1.
What is the InChIKey of N-(1-ethylsulfonylpiperidin-4-yl)-2-(2-fluorophenyl)acetamide?
The InChIKey is FHLMJJMROYZVKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O3S/c1-2-22(20,21)18-9-7-13(8-10-18)17-15(19)11-12-5-3-4-6-14(12)16/h3-6,13H,2,7-11H2,1H3,(H,17,19).
What are the key properties of N-(1-ethylsulfonylpiperidin-4-yl)-2-(2-fluorophenyl)acetamide?
N-(1-ethylsulfonylpiperidin-4-yl)-2-(2-fluorophenyl)acetamide has a molecular weight of 328.41 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylsulfonylpiperidin-4-yl)-2-(2-fluorophenyl)acetamide is sourced from PubChem (CID 38174080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).