2-(4-benzoylphenoxy)-N-methyl-N-(thiophen-2-ylmethyl)acetamide

C21H19NO3S — CID 2457089

IUPAC2-(4-benzoylphenoxy)-N-methyl-N-(thiophen-2-ylmethyl)acetamide
SMILESCN(Cc1cccs1)C(=O)COc1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C21H19NO3S/c1-22(14-19-8-5-13-26-19)20(23)15-25-18-11-9-17(10-12-18)21(24)16-6-3-2-4-7-16/h2-13H,14-15H2,1H3
InChIKeyRNHGMGDPDMCKTH-UHFFFAOYSA-N
MW365.45 g/mol
LogP4.02
Rot. Bonds7

About 2-(4-benzoylphenoxy)-N-methyl-N-(thiophen-2-ylmethyl)acetamide

2-(4-benzoylphenoxy)-N-methyl-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 2457089) has the molecular formula C21H19NO3S and a molecular weight of 365.45 g/mol. Its IUPAC name is 2-(4-benzoylphenoxy)-N-methyl-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(4-benzoylphenoxy)-N-methyl-N-(thiophen-2-ylmethyl)acetamide
PubChem CID2457089
Molecular FormulaC21H19NO3S
Molecular Weight365.45 g/mol
Exact Mass365.11
IUPAC Name2-(4-benzoylphenoxy)-N-methyl-N-(thiophen-2-ylmethyl)acetamide
SMILESCN(Cc1cccs1)C(=O)COc1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C21H19NO3S/c1-22(14-19-8-5-13-26-19)20(23)15-25-18-11-9-17(10-12-18)21(24)16-6-3-2-4-7-16/h2-13H,14-15H2,1H3
InChIKeyRNHGMGDPDMCKTH-UHFFFAOYSA-N
XLogP4.02
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.45
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-phenoxy-N-(thiophen-2-ylmethyl)acetamide
CID 78762396
2-(4-ethoxyphenoxy)-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 84601120
2-(3,4-dimethylphenoxy)-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 78760305
N-methyl-2-(4-methylsulfonylphenoxy)-N-(thiophen-2-ylmethyl)acetamide
CID 51174659
2-(2-methoxyphenoxy)-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 78762295
2-[4-(1,3-dithian-2-yl)phenoxy]-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 55383165
2-(4-benzoylphenoxy)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
CID 7560002
2-[[2-(4-benzoylphenoxy)acetyl]-methylamino]acetamide
CID 56809046
(2S)-2-[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethoxy]propanoic acid
CID 104876158
3-[[2-(4-benzoylphenoxy)acetyl]-methylamino]-2-methylpropanoic acid
CID 122111906
2-(2-acetamidophenoxy)-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 8001547
[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 4-(4-fluorophenoxy)benzoate
CID 24524313

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzoylphenoxy)-N-methyl-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-(4-benzoylphenoxy)-N-methyl-N-(thiophen-2-ylmethyl)acetamide (CID 2457089) is 2-(4-benzoylphenoxy)-N-methyl-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(4-benzoylphenoxy)-N-methyl-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-(4-benzoylphenoxy)-N-methyl-N-(thiophen-2-ylmethyl)acetamide is CN(Cc1cccs1)C(=O)COc1ccc(C(=O)c2ccccc2)cc1.
What is the InChIKey of 2-(4-benzoylphenoxy)-N-methyl-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is RNHGMGDPDMCKTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO3S/c1-22(14-19-8-5-13-26-19)20(23)15-25-18-11-9-17(10-12-18)21(24)16-6-3-2-4-7-16/h2-13H,14-15H2,1H3.
What are the key properties of 2-(4-benzoylphenoxy)-N-methyl-N-(thiophen-2-ylmethyl)acetamide?
2-(4-benzoylphenoxy)-N-methyl-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 365.45 g/mol, XLogP of 4.02, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzoylphenoxy)-N-methyl-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 2457089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).