2-(4-methylphenoxy)-N-pyridin-3-yl-N-(thiophen-2-ylmethyl)acetamide

C19H18N2O2S — CID 67511214

IUPAC2-(4-methylphenoxy)-N-pyridin-3-yl-N-(thiophen-2-ylmethyl)acetamide
SMILESCc1ccc(OCC(=O)N(Cc2cccs2)c2cccnc2)cc1
InChIInChI=1S/C19H18N2O2S/c1-15-6-8-17(9-7-15)23-14-19(22)21(13-18-5-3-11-24-18)16-4-2-10-20-12-16/h2-12H,13-14H2,1H3
InChIKeyXXKLDRFGAGRRGF-UHFFFAOYSA-N
MW338.43 g/mol
LogP4.06
Rot. Bonds6

About 2-(4-methylphenoxy)-N-pyridin-3-yl-N-(thiophen-2-ylmethyl)acetamide

2-(4-methylphenoxy)-N-pyridin-3-yl-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 67511214) has the molecular formula C19H18N2O2S and a molecular weight of 338.43 g/mol. Its IUPAC name is 2-(4-methylphenoxy)-N-pyridin-3-yl-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(4-methylphenoxy)-N-pyridin-3-yl-N-(thiophen-2-ylmethyl)acetamide
PubChem CID67511214
Molecular FormulaC19H18N2O2S
Molecular Weight338.43 g/mol
Exact Mass338.11
IUPAC Name2-(4-methylphenoxy)-N-pyridin-3-yl-N-(thiophen-2-ylmethyl)acetamide
SMILESCc1ccc(OCC(=O)N(Cc2cccs2)c2cccnc2)cc1
InChIInChI=1S/C19H18N2O2S/c1-15-6-8-17(9-7-15)23-14-19(22)21(13-18-5-3-11-24-18)16-4-2-10-20-12-16/h2-12H,13-14H2,1H3
InChIKeyXXKLDRFGAGRRGF-UHFFFAOYSA-N
XLogP4.06
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenoxy)-N-pyridin-3-yl-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-(4-methylphenoxy)-N-pyridin-3-yl-N-(thiophen-2-ylmethyl)acetamide (CID 67511214) is 2-(4-methylphenoxy)-N-pyridin-3-yl-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(4-methylphenoxy)-N-pyridin-3-yl-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-(4-methylphenoxy)-N-pyridin-3-yl-N-(thiophen-2-ylmethyl)acetamide is Cc1ccc(OCC(=O)N(Cc2cccs2)c2cccnc2)cc1.
What is the InChIKey of 2-(4-methylphenoxy)-N-pyridin-3-yl-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is XXKLDRFGAGRRGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2S/c1-15-6-8-17(9-7-15)23-14-19(22)21(13-18-5-3-11-24-18)16-4-2-10-20-12-16/h2-12H,13-14H2,1H3.
What are the key properties of 2-(4-methylphenoxy)-N-pyridin-3-yl-N-(thiophen-2-ylmethyl)acetamide?
2-(4-methylphenoxy)-N-pyridin-3-yl-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 338.43 g/mol, XLogP of 4.06, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenoxy)-N-pyridin-3-yl-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 67511214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).