N-(1-methylimidazol-2-yl)-2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide

C18H19N3O2S — CID 67516491

IUPACN-(1-methylimidazol-2-yl)-2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide
SMILESCc1ccc(OCC(=O)N(Cc2cccs2)c2nccn2C)cc1
InChIInChI=1S/C18H19N3O2S/c1-14-5-7-15(8-6-14)23-13-17(22)21(12-16-4-3-11-24-16)18-19-9-10-20(18)2/h3-11H,12-13H2,1-2H3
InChIKeyYUFRMRGFMLWIMO-UHFFFAOYSA-N
MW341.44 g/mol
LogP3.40
Rot. Bonds6

About N-(1-methylimidazol-2-yl)-2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide

N-(1-methylimidazol-2-yl)-2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 67516491) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is N-(1-methylimidazol-2-yl)-2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-(1-methylimidazol-2-yl)-2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide
PubChem CID67516491
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC NameN-(1-methylimidazol-2-yl)-2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide
SMILESCc1ccc(OCC(=O)N(Cc2cccs2)c2nccn2C)cc1
InChIInChI=1S/C18H19N3O2S/c1-14-5-7-15(8-6-14)23-13-17(22)21(12-16-4-3-11-24-16)18-19-9-10-20(18)2/h3-11H,12-13H2,1-2H3
InChIKeyYUFRMRGFMLWIMO-UHFFFAOYSA-N
XLogP3.40
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylimidazol-2-yl)-2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of N-(1-methylimidazol-2-yl)-2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide (CID 67516491) is N-(1-methylimidazol-2-yl)-2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for N-(1-methylimidazol-2-yl)-2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for N-(1-methylimidazol-2-yl)-2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide is Cc1ccc(OCC(=O)N(Cc2cccs2)c2nccn2C)cc1.
What is the InChIKey of N-(1-methylimidazol-2-yl)-2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is YUFRMRGFMLWIMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-14-5-7-15(8-6-14)23-13-17(22)21(12-16-4-3-11-24-16)18-19-9-10-20(18)2/h3-11H,12-13H2,1-2H3.
What are the key properties of N-(1-methylimidazol-2-yl)-2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide?
N-(1-methylimidazol-2-yl)-2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 341.44 g/mol, XLogP of 3.40, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylimidazol-2-yl)-2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 67516491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).