N-(1-methylsulfonylpiperidin-3-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide

C15H19F3N2O4S — CID 47910347

IUPACN-(1-methylsulfonylpiperidin-3-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide
SMILESCS(=O)(=O)N1CCCC(NC(=O)COc2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C15H19F3N2O4S/c1-25(22,23)20-8-2-3-12(9-20)19-14(21)10-24-13-6-4-11(5-7-13)15(16,17)18/h4-7,12H,2-3,8-10H2,1H3,(H,19,21)
InChIKeyOPZBXNJCOKLJQE-UHFFFAOYSA-N
MW380.39 g/mol
LogP1.62
Rot. Bonds5

About N-(1-methylsulfonylpiperidin-3-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide

N-(1-methylsulfonylpiperidin-3-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide (PubChem CID 47910347) has the molecular formula C15H19F3N2O4S and a molecular weight of 380.39 g/mol. Its IUPAC name is N-(1-methylsulfonylpiperidin-3-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(1-methylsulfonylpiperidin-3-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide
PubChem CID47910347
Molecular FormulaC15H19F3N2O4S
Molecular Weight380.39 g/mol
Exact Mass380.10
IUPAC NameN-(1-methylsulfonylpiperidin-3-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide
SMILESCS(=O)(=O)N1CCCC(NC(=O)COc2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C15H19F3N2O4S/c1-25(22,23)20-8-2-3-12(9-20)19-14(21)10-24-13-6-4-11(5-7-13)15(16,17)18/h4-7,12H,2-3,8-10H2,1H3,(H,19,21)
InChIKeyOPZBXNJCOKLJQE-UHFFFAOYSA-N
XLogP1.62
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.39
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-ethoxyphenoxy)-N-(1-methylsulfonylpiperidin-3-yl)acetamide
CID 47909972
2-(4-tert-butylphenoxy)-N-(1-methylsulfonylpiperidin-4-yl)acetamide
CID 46419745
2-methoxy-N-(1-methylsulfonylpiperidin-3-yl)acetamide
CID 47403795
2-(2,4-dichlorophenoxy)-N-(1-methylsulfonylpiperidin-3-yl)acetamide
CID 47910189
2-[2-formyl-N-methyl-4-(trifluoromethyl)anilino]-N-(1-methylsulfonylpiperidin-3-yl)acetamide
CID 166405151
1-[(3S)-3-(methylamino)piperidin-1-yl]-2-[4-(trifluoromethyl)phenoxy]ethanone
CID 124575482
4-[(1-methylsulfonylpiperidin-3-yl)carbamoyl]benzoic acid
CID 119182615
N-(1-benzylpiperidin-4-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 46488361
N-[4-[2-oxo-3-[4-(trifluoromethyl)phenoxy]propyl]cyclohexyl]-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 147640243
4-methyl-N-(1-methylsulfonylpiperidin-3-yl)benzamide
CID 47910179
N-(1-ethylsulfonylpiperidin-4-yl)-2-(4-fluorophenoxy)acetamide
CID 110823029
2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-(1-methylsulfonylpiperidin-3-yl)acetamide
CID 47909871

Frequently Asked Questions

What is the IUPAC name of N-(1-methylsulfonylpiperidin-3-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide?
The IUPAC name of N-(1-methylsulfonylpiperidin-3-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide (CID 47910347) is N-(1-methylsulfonylpiperidin-3-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide.
What is the SMILES notation for N-(1-methylsulfonylpiperidin-3-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide?
The canonical SMILES for N-(1-methylsulfonylpiperidin-3-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide is CS(=O)(=O)N1CCCC(NC(=O)COc2ccc(C(F)(F)F)cc2)C1.
What is the InChIKey of N-(1-methylsulfonylpiperidin-3-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide?
The InChIKey is OPZBXNJCOKLJQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O4S/c1-25(22,23)20-8-2-3-12(9-20)19-14(21)10-24-13-6-4-11(5-7-13)15(16,17)18/h4-7,12H,2-3,8-10H2,1H3,(H,19,21).
What are the key properties of N-(1-methylsulfonylpiperidin-3-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide?
N-(1-methylsulfonylpiperidin-3-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide has a molecular weight of 380.39 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylsulfonylpiperidin-3-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide is sourced from PubChem (CID 47910347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).