2-(3-fluorophenoxy)-N-pyridin-2-yl-N-(thiophen-2-ylmethyl)acetamide

C18H15FN2O2S — CID 140925417

IUPAC2-(3-fluorophenoxy)-N-pyridin-2-yl-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(COc1cccc(F)c1)N(Cc1cccs1)c1ccccn1
InChIInChI=1S/C18H15FN2O2S/c19-14-5-3-6-15(11-14)23-13-18(22)21(12-16-7-4-10-24-16)17-8-1-2-9-20-17/h1-11H,12-13H2
InChIKeyAYPDAACCAQSTPK-UHFFFAOYSA-N
MW342.40 g/mol
LogP3.89
Rot. Bonds6

About 2-(3-fluorophenoxy)-N-pyridin-2-yl-N-(thiophen-2-ylmethyl)acetamide

2-(3-fluorophenoxy)-N-pyridin-2-yl-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 140925417) has the molecular formula C18H15FN2O2S and a molecular weight of 342.40 g/mol. Its IUPAC name is 2-(3-fluorophenoxy)-N-pyridin-2-yl-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(3-fluorophenoxy)-N-pyridin-2-yl-N-(thiophen-2-ylmethyl)acetamide
PubChem CID140925417
Molecular FormulaC18H15FN2O2S
Molecular Weight342.40 g/mol
Exact Mass342.08
IUPAC Name2-(3-fluorophenoxy)-N-pyridin-2-yl-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(COc1cccc(F)c1)N(Cc1cccs1)c1ccccn1
InChIInChI=1S/C18H15FN2O2S/c19-14-5-3-6-15(11-14)23-13-18(22)21(12-16-7-4-10-24-16)17-8-1-2-9-20-17/h1-11H,12-13H2
InChIKeyAYPDAACCAQSTPK-UHFFFAOYSA-N
XLogP3.89
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenoxy)-N-pyridin-2-yl-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-(3-fluorophenoxy)-N-pyridin-2-yl-N-(thiophen-2-ylmethyl)acetamide (CID 140925417) is 2-(3-fluorophenoxy)-N-pyridin-2-yl-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(3-fluorophenoxy)-N-pyridin-2-yl-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-(3-fluorophenoxy)-N-pyridin-2-yl-N-(thiophen-2-ylmethyl)acetamide is O=C(COc1cccc(F)c1)N(Cc1cccs1)c1ccccn1.
What is the InChIKey of 2-(3-fluorophenoxy)-N-pyridin-2-yl-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is AYPDAACCAQSTPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O2S/c19-14-5-3-6-15(11-14)23-13-18(22)21(12-16-7-4-10-24-16)17-8-1-2-9-20-17/h1-11H,12-13H2.
What are the key properties of 2-(3-fluorophenoxy)-N-pyridin-2-yl-N-(thiophen-2-ylmethyl)acetamide?
2-(3-fluorophenoxy)-N-pyridin-2-yl-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 342.40 g/mol, XLogP of 3.89, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenoxy)-N-pyridin-2-yl-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 140925417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).