2-(2-methylphenoxy)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]acetamide

C19H18N2O2S — CID 91625620

IUPAC2-(2-methylphenoxy)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]acetamide
SMILESCc1ccccc1OCC(=O)NCc1ccnc(-c2ccsc2)c1
InChIInChI=1S/C19H18N2O2S/c1-14-4-2-3-5-18(14)23-12-19(22)21-11-15-6-8-20-17(10-15)16-7-9-24-13-16/h2-10,13H,11-12H2,1H3,(H,21,22)
InChIKeyYCFKSPQHHKKMOD-UHFFFAOYSA-N
MW338.43 g/mol
LogP3.81
Rot. Bonds6

About 2-(2-methylphenoxy)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]acetamide

2-(2-methylphenoxy)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]acetamide (PubChem CID 91625620) has the molecular formula C19H18N2O2S and a molecular weight of 338.43 g/mol. Its IUPAC name is 2-(2-methylphenoxy)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-methylphenoxy)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]acetamide
PubChem CID91625620
Molecular FormulaC19H18N2O2S
Molecular Weight338.43 g/mol
Exact Mass338.11
IUPAC Name2-(2-methylphenoxy)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]acetamide
SMILESCc1ccccc1OCC(=O)NCc1ccnc(-c2ccsc2)c1
InChIInChI=1S/C19H18N2O2S/c1-14-4-2-3-5-18(14)23-12-19(22)21-11-15-6-8-20-17(10-15)16-7-9-24-13-16/h2-10,13H,11-12H2,1H3,(H,21,22)
InChIKeyYCFKSPQHHKKMOD-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

3-(3,4-dimethylphenyl)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]propanamide
CID 121165797
1-(2-methoxyphenyl)-3-[(2-thiophen-3-yl-4-pyridinyl)methyl]urea
CID 91625691
2-(4-chlorophenyl)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]acetamide
CID 121165718
(2R)-2-phenoxy-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]propanamide
CID 100744368
2-(2-fluorophenoxy)-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]acetamide
CID 121165301
2-(4-methyl-6-oxopyrimidin-1-yl)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]acetamide
CID 121165926
2-methylsulfanyl-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzamide
CID 91625621
2-(4-oxoquinazolin-3-yl)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]acetamide
CID 91625669
2-(2-chloro-6-fluorophenyl)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]acetamide
CID 91625659
2-(2-methylphenoxy)-N-[(5-thiophen-2-yl-3-pyridinyl)methyl]acetamide
CID 91630595
N-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]-2-(2-methylphenoxy)acetamide
CID 110781704
N-[(3-acetamidophenyl)methyl]-2-(2-methylphenoxy)acetamide
CID 39575947

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenoxy)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]acetamide?
The IUPAC name of 2-(2-methylphenoxy)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]acetamide (CID 91625620) is 2-(2-methylphenoxy)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]acetamide.
What is the SMILES notation for 2-(2-methylphenoxy)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]acetamide?
The canonical SMILES for 2-(2-methylphenoxy)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]acetamide is Cc1ccccc1OCC(=O)NCc1ccnc(-c2ccsc2)c1.
What is the InChIKey of 2-(2-methylphenoxy)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]acetamide?
The InChIKey is YCFKSPQHHKKMOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2S/c1-14-4-2-3-5-18(14)23-12-19(22)21-11-15-6-8-20-17(10-15)16-7-9-24-13-16/h2-10,13H,11-12H2,1H3,(H,21,22).
What are the key properties of 2-(2-methylphenoxy)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]acetamide?
2-(2-methylphenoxy)-N-[(2-thiophen-3-yl-4-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-[(2-thiophen-3-yl-4-pyridinyl)methyl]acetamide is sourced from PubChem (CID 91625620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).