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

C17H21NO2S — CID 67512058

IUPAC2-(4-methylphenoxy)-N-propan-2-yl-N-(thiophen-2-ylmethyl)acetamide
SMILESCc1ccc(OCC(=O)N(Cc2cccs2)C(C)C)cc1
InChIInChI=1S/C17H21NO2S/c1-13(2)18(11-16-5-4-10-21-16)17(19)12-20-15-8-6-14(3)7-9-15/h4-10,13H,11-12H2,1-3H3
InChIKeyZOKZTIHLMSOAEQ-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.87
Rot. Bonds6

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

2-(4-methylphenoxy)-N-propan-2-yl-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 67512058) has the molecular formula C17H21NO2S and a molecular weight of 303.43 g/mol. Its IUPAC name is 2-(4-methylphenoxy)-N-propan-2-yl-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(4-methylphenoxy)-N-propan-2-yl-N-(thiophen-2-ylmethyl)acetamide
PubChem CID67512058
Molecular FormulaC17H21NO2S
Molecular Weight303.43 g/mol
Exact Mass303.13
IUPAC Name2-(4-methylphenoxy)-N-propan-2-yl-N-(thiophen-2-ylmethyl)acetamide
SMILESCc1ccc(OCC(=O)N(Cc2cccs2)C(C)C)cc1
InChIInChI=1S/C17H21NO2S/c1-13(2)18(11-16-5-4-10-21-16)17(19)12-20-15-8-6-14(3)7-9-15/h4-10,13H,11-12H2,1-3H3
InChIKeyZOKZTIHLMSOAEQ-UHFFFAOYSA-N
XLogP3.87
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenoxy)-N-propan-2-yl-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-(4-methylphenoxy)-N-propan-2-yl-N-(thiophen-2-ylmethyl)acetamide (CID 67512058) is 2-(4-methylphenoxy)-N-propan-2-yl-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(4-methylphenoxy)-N-propan-2-yl-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-(4-methylphenoxy)-N-propan-2-yl-N-(thiophen-2-ylmethyl)acetamide is Cc1ccc(OCC(=O)N(Cc2cccs2)C(C)C)cc1.
What is the InChIKey of 2-(4-methylphenoxy)-N-propan-2-yl-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is ZOKZTIHLMSOAEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2S/c1-13(2)18(11-16-5-4-10-21-16)17(19)12-20-15-8-6-14(3)7-9-15/h4-10,13H,11-12H2,1-3H3.
What are the key properties of 2-(4-methylphenoxy)-N-propan-2-yl-N-(thiophen-2-ylmethyl)acetamide?
2-(4-methylphenoxy)-N-propan-2-yl-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 303.43 g/mol, XLogP of 3.87, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenoxy)-N-propan-2-yl-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 67512058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).