2-(4-methylphenoxy)-N-pyrimidin-2-yl-N-(thiophen-2-ylmethyl)acetamide

C18H17N3O2S — CID 67510423

IUPAC2-(4-methylphenoxy)-N-pyrimidin-2-yl-N-(thiophen-2-ylmethyl)acetamide
SMILESCc1ccc(OCC(=O)N(Cc2cccs2)c2ncccn2)cc1
InChIInChI=1S/C18H17N3O2S/c1-14-5-7-15(8-6-14)23-13-17(22)21(12-16-4-2-11-24-16)18-19-9-3-10-20-18/h2-11H,12-13H2,1H3
InChIKeyYXIRTQYLYNHHPW-UHFFFAOYSA-N
MW339.42 g/mol
LogP3.46
Rot. Bonds6

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

2-(4-methylphenoxy)-N-pyrimidin-2-yl-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 67510423) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is 2-(4-methylphenoxy)-N-pyrimidin-2-yl-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(4-methylphenoxy)-N-pyrimidin-2-yl-N-(thiophen-2-ylmethyl)acetamide
PubChem CID67510423
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC Name2-(4-methylphenoxy)-N-pyrimidin-2-yl-N-(thiophen-2-ylmethyl)acetamide
SMILESCc1ccc(OCC(=O)N(Cc2cccs2)c2ncccn2)cc1
InChIInChI=1S/C18H17N3O2S/c1-14-5-7-15(8-6-14)23-13-17(22)21(12-16-4-2-11-24-16)18-19-9-3-10-20-18/h2-11H,12-13H2,1H3
InChIKeyYXIRTQYLYNHHPW-UHFFFAOYSA-N
XLogP3.46
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenoxy)-N-pyrimidin-2-yl-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-(4-methylphenoxy)-N-pyrimidin-2-yl-N-(thiophen-2-ylmethyl)acetamide (CID 67510423) is 2-(4-methylphenoxy)-N-pyrimidin-2-yl-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(4-methylphenoxy)-N-pyrimidin-2-yl-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-(4-methylphenoxy)-N-pyrimidin-2-yl-N-(thiophen-2-ylmethyl)acetamide is Cc1ccc(OCC(=O)N(Cc2cccs2)c2ncccn2)cc1.
What is the InChIKey of 2-(4-methylphenoxy)-N-pyrimidin-2-yl-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is YXIRTQYLYNHHPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S/c1-14-5-7-15(8-6-14)23-13-17(22)21(12-16-4-2-11-24-16)18-19-9-3-10-20-18/h2-11H,12-13H2,1H3.
What are the key properties of 2-(4-methylphenoxy)-N-pyrimidin-2-yl-N-(thiophen-2-ylmethyl)acetamide?
2-(4-methylphenoxy)-N-pyrimidin-2-yl-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 339.42 g/mol, XLogP of 3.46, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenoxy)-N-pyrimidin-2-yl-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 67510423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).