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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Related Compounds

3-(4-Methoxy-phenyl)-1-methyl-5-thiophen-2-yl-1H-[2,4'']bipyridinyl-6-one
CID 10970792
5-(4-Methoxyphenyl)-1-methyl-3-(4-methylthiophen-2-yl)-6-pyridin-4-ylpyridin-2-one
CID 11784052
2-(4-Methylphenoxy)-N-(pyridin-2-YL)-N-[(thiophen-2-YL)methyl]acetamide
CID 17013221
2-phenoxy-1-[(2R)-2-(4-pyridin-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 25095157
2-(4-methylphenoxy)-N-pyridin-4-yl-N-(thiophen-2-ylmethyl)acetamide
CID 67512095
1-(4-Pyridyl)-3-[5-[4-(2-thienyl)phenoxy]pentyl]imidazolidin-2-one
CID 493096
1-(4-Pyridyl)-3-[6-[4-(2-thienyl)phenoxy]hexyl]imidazolidin-2-one
CID 493097
5-(4-Methoxyphenyl)-1-methyl-6-pyridin-4-yl-3-thiophen-3-ylpyridin-2-one
CID 10571452
N-ethyl-N-(6-methoxy-3-pyridinyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 46883886
N-{2-[4-(tert-butyl)phenoxy]pyridin-3-yl}thiophene-2-carboxamide
CID 2728416
(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

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).