2-(2-methylphenoxy)-N-[(5-thiophen-2-yl-3-pyridinyl)methyl]acetamide

C19H18N2O2S — CID 91630595

IUPAC2-(2-methylphenoxy)-N-[(5-thiophen-2-yl-3-pyridinyl)methyl]acetamide
SMILESCc1ccccc1OCC(=O)NCc1cncc(-c2cccs2)c1
InChIInChI=1S/C19H18N2O2S/c1-14-5-2-3-6-17(14)23-13-19(22)21-11-15-9-16(12-20-10-15)18-7-4-8-24-18/h2-10,12H,11,13H2,1H3,(H,21,22)
InChIKeyVEURPAIGXZQJNM-UHFFFAOYSA-N
MW338.43 g/mol
LogP3.81
Rot. Bonds6

About 2-(2-methylphenoxy)-N-[(5-thiophen-2-yl-3-pyridinyl)methyl]acetamide

2-(2-methylphenoxy)-N-[(5-thiophen-2-yl-3-pyridinyl)methyl]acetamide (PubChem CID 91630595) has the molecular formula C19H18N2O2S and a molecular weight of 338.43 g/mol. Its IUPAC name is 2-(2-methylphenoxy)-N-[(5-thiophen-2-yl-3-pyridinyl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-methylphenoxy)-N-[(5-thiophen-2-yl-3-pyridinyl)methyl]acetamide
PubChem CID91630595
Molecular FormulaC19H18N2O2S
Molecular Weight338.43 g/mol
Exact Mass338.11
IUPAC Name2-(2-methylphenoxy)-N-[(5-thiophen-2-yl-3-pyridinyl)methyl]acetamide
SMILESCc1ccccc1OCC(=O)NCc1cncc(-c2cccs2)c1
InChIInChI=1S/C19H18N2O2S/c1-14-5-2-3-6-17(14)23-13-19(22)21-11-15-9-16(12-20-10-15)18-7-4-8-24-18/h2-10,12H,11,13H2,1H3,(H,21,22)
InChIKeyVEURPAIGXZQJNM-UHFFFAOYSA-N
XLogP3.81
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methoxyphenyl)-3-[(5-thiophen-2-yl-3-pyridinyl)methyl]urea
CID 91630693
2-(2-methylphenoxy)-N-(quinolin-3-ylmethyl)acetamide
CID 110733809
1-(2-methoxyethyl)-3-[(5-thiophen-2-yl-3-pyridinyl)methyl]urea
CID 91630690
4-tert-butyl-N-[(5-thiophen-2-yl-3-pyridinyl)methyl]benzamide
CID 91630658
2-(2-methylphenoxy)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]acetamide
CID 91625620
2-(2-methylphenoxy)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
CID 7915788
N-[2-[[2-(2-methylphenoxy)acetyl]amino]ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole-5-carboxamide
CID 17083307
N-[(3-acetamidophenyl)methyl]-2-(2-methylphenoxy)acetamide
CID 39575947
N-[(6-cyclopropylpyrimidin-4-yl)methyl]-2-(2-methylphenoxy)acetamide
CID 122263851
N-benzyl-2-(5-fluoro-2-methylphenoxy)acetamide
CID 102975403
N-[(1-methylindol-3-yl)methyl]-2-(2-methylphenoxy)acetamide
CID 110782279
2-pyridin-3-yloxy-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]acetamide
CID 90627965

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenoxy)-N-[(5-thiophen-2-yl-3-pyridinyl)methyl]acetamide?
The IUPAC name of 2-(2-methylphenoxy)-N-[(5-thiophen-2-yl-3-pyridinyl)methyl]acetamide (CID 91630595) is 2-(2-methylphenoxy)-N-[(5-thiophen-2-yl-3-pyridinyl)methyl]acetamide.
What is the SMILES notation for 2-(2-methylphenoxy)-N-[(5-thiophen-2-yl-3-pyridinyl)methyl]acetamide?
The canonical SMILES for 2-(2-methylphenoxy)-N-[(5-thiophen-2-yl-3-pyridinyl)methyl]acetamide is Cc1ccccc1OCC(=O)NCc1cncc(-c2cccs2)c1.
What is the InChIKey of 2-(2-methylphenoxy)-N-[(5-thiophen-2-yl-3-pyridinyl)methyl]acetamide?
The InChIKey is VEURPAIGXZQJNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2S/c1-14-5-2-3-6-17(14)23-13-19(22)21-11-15-9-16(12-20-10-15)18-7-4-8-24-18/h2-10,12H,11,13H2,1H3,(H,21,22).
What are the key properties of 2-(2-methylphenoxy)-N-[(5-thiophen-2-yl-3-pyridinyl)methyl]acetamide?
2-(2-methylphenoxy)-N-[(5-thiophen-2-yl-3-pyridinyl)methyl]acetamide has a molecular weight of 338.43 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenoxy)-N-[(5-thiophen-2-yl-3-pyridinyl)methyl]acetamide is sourced from PubChem (CID 91630595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).