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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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).