2-(4-fluorophenoxy)-N-[(2-thiophen-2-yl-4-pyridinyl)methyl]acetamide

C18H15FN2O2S — CID 91630325

IUPAC2-(4-fluorophenoxy)-N-[(2-thiophen-2-yl-4-pyridinyl)methyl]acetamide
SMILESO=C(COc1ccc(F)cc1)NCc1ccnc(-c2cccs2)c1
InChIInChI=1S/C18H15FN2O2S/c19-14-3-5-15(6-4-14)23-12-18(22)21-11-13-7-8-20-16(10-13)17-2-1-9-24-17/h1-10H,11-12H2,(H,21,22)
InChIKeyYBXGWXRTWHLNEJ-UHFFFAOYSA-N
MW342.40 g/mol
LogP3.64
Rot. Bonds6

About 2-(4-fluorophenoxy)-N-[(2-thiophen-2-yl-4-pyridinyl)methyl]acetamide

2-(4-fluorophenoxy)-N-[(2-thiophen-2-yl-4-pyridinyl)methyl]acetamide (PubChem CID 91630325) has the molecular formula C18H15FN2O2S and a molecular weight of 342.40 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-N-[(2-thiophen-2-yl-4-pyridinyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-N-[(2-thiophen-2-yl-4-pyridinyl)methyl]acetamide
PubChem CID91630325
Molecular FormulaC18H15FN2O2S
Molecular Weight342.40 g/mol
Exact Mass342.08
IUPAC Name2-(4-fluorophenoxy)-N-[(2-thiophen-2-yl-4-pyridinyl)methyl]acetamide
SMILESO=C(COc1ccc(F)cc1)NCc1ccnc(-c2cccs2)c1
InChIInChI=1S/C18H15FN2O2S/c19-14-3-5-15(6-4-14)23-12-18(22)21-11-13-7-8-20-16(10-13)17-2-1-9-24-17/h1-10H,11-12H2,(H,21,22)
InChIKeyYBXGWXRTWHLNEJ-UHFFFAOYSA-N
XLogP3.64
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-hydroxy-5-(5-((2-phenoxyethylamino)methyl)pyridin-2-yl)thiophene-2-carboxamide
CID 11696355
2-(4-methylphenoxy)-N-pyridin-3-yl-N-(thiophen-2-ylmethyl)acetamide
CID 67511214
2-(4-methylphenoxy)-N-pyridin-4-yl-N-(thiophen-2-ylmethyl)acetamide
CID 67512095
2-(3-fluorophenoxy)-N-(4-(pyridin-4-yl)thiazol-2-yl)acetamide
CID 8123755
2-Cyano-3-{1-[2-(2-fluoro-phenoxy)-ethyl]-1H-indol-3-yl}-N-thiophen-2-ylmethyl-acrylamide
CID 1132167
2-(4-fluorophenoxy)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide
CID 18127531
2-quinolin-8-yloxy-N-(thiophen-2-ylmethyl)acetamide
CID 2094807
2-(3-fluorophenoxy)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide
CID 8123627
(E)-3-(5-((Z)-4-Methyl-3-oxo-3,4-dihydrobenzo[b][1,4]oxazin-2-ylidenemethyl)thiophen-2-yl)-N-(pyridin-3-ylmethyl)acrylamide
CID 24783392
(E)-3-(3-((Z)-4-Methyl-3-oxo-3,4-dihydrobenzo[b][1,4]oxazin-2-ylidenemethyl)thiophen-2-yl)-N-(pyridin-4-ylmethyl)acrylamide
CID 25027538
(2E)-N-{[7-(3,6-dimethyl-2-pyrazinyl)-4-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl}-3-(2-thienyl)acrylamide
CID 45165699
2-phenoxy-1-[(2R)-2-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 25121627

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-N-[(2-thiophen-2-yl-4-pyridinyl)methyl]acetamide?
The IUPAC name of 2-(4-fluorophenoxy)-N-[(2-thiophen-2-yl-4-pyridinyl)methyl]acetamide (CID 91630325) is 2-(4-fluorophenoxy)-N-[(2-thiophen-2-yl-4-pyridinyl)methyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenoxy)-N-[(2-thiophen-2-yl-4-pyridinyl)methyl]acetamide?
The canonical SMILES for 2-(4-fluorophenoxy)-N-[(2-thiophen-2-yl-4-pyridinyl)methyl]acetamide is O=C(COc1ccc(F)cc1)NCc1ccnc(-c2cccs2)c1.
What is the InChIKey of 2-(4-fluorophenoxy)-N-[(2-thiophen-2-yl-4-pyridinyl)methyl]acetamide?
The InChIKey is YBXGWXRTWHLNEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O2S/c19-14-3-5-15(6-4-14)23-12-18(22)21-11-13-7-8-20-16(10-13)17-2-1-9-24-17/h1-10H,11-12H2,(H,21,22).
What are the key properties of 2-(4-fluorophenoxy)-N-[(2-thiophen-2-yl-4-pyridinyl)methyl]acetamide?
2-(4-fluorophenoxy)-N-[(2-thiophen-2-yl-4-pyridinyl)methyl]acetamide has a molecular weight of 342.40 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-N-[(2-thiophen-2-yl-4-pyridinyl)methyl]acetamide is sourced from PubChem (CID 91630325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).