2-((4-fluorophenyl)thio)-N-((1-(2-methoxyethyl)piperidin-4-yl)methyl)acetamide

C17H25FN2O2S — CID 45558648

IUPAC2-(4-fluorophenyl)sulfanyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]acetamide
SMILESCOCCN1CCC(CC1)CNC(=O)CSC2=CC=C(C=C2)F
InChIInChI=1S/C17H25FN2O2S/c1-22-11-10-20-8-6-14(7-9-20)12-19-17(21)13-23-16-4-2-15(18)3-5-16/h2-5,14H,6-13H2,1H3,(H,19,21)
InChIKeyNQKARFDHLVIYTH-UHFFFAOYSA-N
MW340.50 g/mol
LogP2.50
Rot. Bonds8

About 2-((4-fluorophenyl)thio)-N-((1-(2-methoxyethyl)piperidin-4-yl)methyl)acetamide

2-((4-fluorophenyl)thio)-N-((1-(2-methoxyethyl)piperidin-4-yl)methyl)acetamide (PubChem CID 45558648) has the molecular formula C17H25FN2O2S and a molecular weight of 340.50 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfanyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound Name2-((4-fluorophenyl)thio)-N-((1-(2-methoxyethyl)piperidin-4-yl)methyl)acetamide
PubChem CID45558648
Molecular FormulaC17H25FN2O2S
Molecular Weight340.50 g/mol
Exact Mass340.16
IUPAC Name2-(4-fluorophenyl)sulfanyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]acetamide
SMILESCOCCN1CCC(CC1)CNC(=O)CSC2=CC=C(C=C2)F
InChIInChI=1S/C17H25FN2O2S/c1-22-11-10-20-8-6-14(7-9-20)12-19-17(21)13-23-16-4-2-15(18)3-5-16/h2-5,14H,6-13H2,1H3,(H,19,21)
InChIKeyNQKARFDHLVIYTH-UHFFFAOYSA-N
XLogP2.50
TPSA66.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity343

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.50
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(Cyclohexylmethylamino)-2-oxoethyl] 2-(4-fluorophenyl)sulfanylacetate
CID 24819842
N-(2-methoxyethyl)-3-methyl-1-(2-phenylsulfanylethyl)piperidine-3-carboxamide
CID 49795194
2-(4-methylphenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)acetamide
CID 2219795
1-[3-(4-Fluorophenyl)sulfanyl-2-hydroxypropyl]piperidine-4-carboxamide
CID 2809875
2-(4-fluorophenyl)sulfanyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
CID 18169460
1-(3-Phenylsulfanyl-propionyl)-piperidine-4-carboxylic acid amide
CID 769769
N-(3-morpholin-4-ylpropyl)-2-phenylsulfanylacetamide
CID 2105521
N-[2-(4-morpholinyl)ethyl]-3-(phenylthio)propanamide
CID 2226422
N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-phenylsulfanylacetamide
CID 17473623
2-(4-fluorophenyl)sulfanyl-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
CID 4802479
2-(3,4-difluorophenyl)sulfanyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 8926699
1-(3-(phenylthio)propanoyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 49676884

Frequently Asked Questions

What is the IUPAC name of 2-((4-fluorophenyl)thio)-N-((1-(2-methoxyethyl)piperidin-4-yl)methyl)acetamide?
The IUPAC name of 2-((4-fluorophenyl)thio)-N-((1-(2-methoxyethyl)piperidin-4-yl)methyl)acetamide (CID 45558648) is 2-(4-fluorophenyl)sulfanyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for 2-((4-fluorophenyl)thio)-N-((1-(2-methoxyethyl)piperidin-4-yl)methyl)acetamide?
The canonical SMILES for 2-((4-fluorophenyl)thio)-N-((1-(2-methoxyethyl)piperidin-4-yl)methyl)acetamide is COCCN1CCC(CC1)CNC(=O)CSC2=CC=C(C=C2)F.
What is the InChIKey of 2-((4-fluorophenyl)thio)-N-((1-(2-methoxyethyl)piperidin-4-yl)methyl)acetamide?
The InChIKey is NQKARFDHLVIYTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O2S/c1-22-11-10-20-8-6-14(7-9-20)12-19-17(21)13-23-16-4-2-15(18)3-5-16/h2-5,14H,6-13H2,1H3,(H,19,21).
What are the key properties of 2-((4-fluorophenyl)thio)-N-((1-(2-methoxyethyl)piperidin-4-yl)methyl)acetamide?
2-((4-fluorophenyl)thio)-N-((1-(2-methoxyethyl)piperidin-4-yl)methyl)acetamide has a molecular weight of 340.50 g/mol, XLogP of 2.50, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-((4-fluorophenyl)thio)-N-((1-(2-methoxyethyl)piperidin-4-yl)methyl)acetamide is sourced from PubChem (CID 45558648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).