N-ethyl-2-(4-methylphenoxy)-N-[(5-methylthiophen-2-yl)methyl]acetamide

C17H21NO2S — CID 67510513

IUPACN-ethyl-2-(4-methylphenoxy)-N-[(5-methylthiophen-2-yl)methyl]acetamide
SMILESCCN(Cc1ccc(C)s1)C(=O)COc1ccc(C)cc1
InChIInChI=1S/C17H21NO2S/c1-4-18(11-16-10-7-14(3)21-16)17(19)12-20-15-8-5-13(2)6-9-15/h5-10H,4,11-12H2,1-3H3
InChIKeyWDBAXCGIVJSGNL-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.79
Rot. Bonds6

About N-ethyl-2-(4-methylphenoxy)-N-[(5-methylthiophen-2-yl)methyl]acetamide

N-ethyl-2-(4-methylphenoxy)-N-[(5-methylthiophen-2-yl)methyl]acetamide (PubChem CID 67510513) has the molecular formula C17H21NO2S and a molecular weight of 303.43 g/mol. Its IUPAC name is N-ethyl-2-(4-methylphenoxy)-N-[(5-methylthiophen-2-yl)methyl]acetamide.

Molecular Properties

Compound NameN-ethyl-2-(4-methylphenoxy)-N-[(5-methylthiophen-2-yl)methyl]acetamide
PubChem CID67510513
Molecular FormulaC17H21NO2S
Molecular Weight303.43 g/mol
Exact Mass303.13
IUPAC NameN-ethyl-2-(4-methylphenoxy)-N-[(5-methylthiophen-2-yl)methyl]acetamide
SMILESCCN(Cc1ccc(C)s1)C(=O)COc1ccc(C)cc1
InChIInChI=1S/C17H21NO2S/c1-4-18(11-16-10-7-14(3)21-16)17(19)12-20-15-8-5-13(2)6-9-15/h5-10H,4,11-12H2,1-3H3
InChIKeyWDBAXCGIVJSGNL-UHFFFAOYSA-N
XLogP3.79
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 ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(4-methylphenoxy)-N-[(5-methylthiophen-2-yl)methyl]acetamide?
The IUPAC name of N-ethyl-2-(4-methylphenoxy)-N-[(5-methylthiophen-2-yl)methyl]acetamide (CID 67510513) is N-ethyl-2-(4-methylphenoxy)-N-[(5-methylthiophen-2-yl)methyl]acetamide.
What is the SMILES notation for N-ethyl-2-(4-methylphenoxy)-N-[(5-methylthiophen-2-yl)methyl]acetamide?
The canonical SMILES for N-ethyl-2-(4-methylphenoxy)-N-[(5-methylthiophen-2-yl)methyl]acetamide is CCN(Cc1ccc(C)s1)C(=O)COc1ccc(C)cc1.
What is the InChIKey of N-ethyl-2-(4-methylphenoxy)-N-[(5-methylthiophen-2-yl)methyl]acetamide?
The InChIKey is WDBAXCGIVJSGNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2S/c1-4-18(11-16-10-7-14(3)21-16)17(19)12-20-15-8-5-13(2)6-9-15/h5-10H,4,11-12H2,1-3H3.
What are the key properties of N-ethyl-2-(4-methylphenoxy)-N-[(5-methylthiophen-2-yl)methyl]acetamide?
N-ethyl-2-(4-methylphenoxy)-N-[(5-methylthiophen-2-yl)methyl]acetamide has a molecular weight of 303.43 g/mol, XLogP of 3.79, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(4-methylphenoxy)-N-[(5-methylthiophen-2-yl)methyl]acetamide is sourced from PubChem (CID 67510513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).