2-(4-ethoxyphenyl)-N-[(2-thiophen-3-ylphenyl)methyl]acetamide

C21H21NO2S — CID 71809931

IUPAC2-(4-ethoxyphenyl)-N-[(2-thiophen-3-ylphenyl)methyl]acetamide
SMILESCCOc1ccc(CC(=O)NCc2ccccc2-c2ccsc2)cc1
InChIInChI=1S/C21H21NO2S/c1-2-24-19-9-7-16(8-10-19)13-21(23)22-14-17-5-3-4-6-20(17)18-11-12-25-15-18/h3-12,15H,2,13-14H2,1H3,(H,22,23)
InChIKeyYNPQHEJJTHWTFX-UHFFFAOYSA-N
MW351.47 g/mol
LogP4.67
Rot. Bonds7

About 2-(4-ethoxyphenyl)-N-[(2-thiophen-3-ylphenyl)methyl]acetamide

2-(4-ethoxyphenyl)-N-[(2-thiophen-3-ylphenyl)methyl]acetamide (PubChem CID 71809931) has the molecular formula C21H21NO2S and a molecular weight of 351.47 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-N-[(2-thiophen-3-ylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-N-[(2-thiophen-3-ylphenyl)methyl]acetamide
PubChem CID71809931
Molecular FormulaC21H21NO2S
Molecular Weight351.47 g/mol
Exact Mass351.13
IUPAC Name2-(4-ethoxyphenyl)-N-[(2-thiophen-3-ylphenyl)methyl]acetamide
SMILESCCOc1ccc(CC(=O)NCc2ccccc2-c2ccsc2)cc1
InChIInChI=1S/C21H21NO2S/c1-2-24-19-9-7-16(8-10-19)13-21(23)22-14-17-5-3-4-6-20(17)18-11-12-25-15-18/h3-12,15H,2,13-14H2,1H3,(H,22,23)
InChIKeyYNPQHEJJTHWTFX-UHFFFAOYSA-N
XLogP4.67
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)-N-[(2-thiophen-3-ylphenyl)methyl]acetamide
CID 90596848
2-ethoxy-N-[(2-thiophen-3-ylphenyl)methyl]benzamide
CID 90596843
2-(4-ethoxyphenyl)-N-[(2-fluorophenyl)methyl]acetamide
CID 17068473
N-[(2-thiophen-3-ylphenyl)methyl]undecanamide
CID 90596958
2-thiophen-2-yl-N-[(2-thiophen-3-ylphenyl)methyl]acetamide
CID 71809924
2,4-dimethoxy-N-[(2-thiophen-3-ylphenyl)methyl]benzamide
CID 90597025
5-bromo-N-[(2-thiophen-3-ylphenyl)methyl]furan-2-carboxamide
CID 90597008
2-(4-ethoxyphenyl)-N-(thiophen-2-ylmethyl)acetamide
CID 17172905
3,4-dimethoxy-N-[(2-thiophen-3-ylphenyl)methyl]benzamide
CID 90596857
2,4,6-trimethyl-N-[(2-thiophen-3-ylphenyl)methyl]benzamide
CID 90596839
N-[(2-thiophen-3-ylphenyl)methyl]prop-2-ynamide
CID 90596997
6-methoxy-N-[(2-thiophen-3-ylphenyl)methyl]-1H-indole-2-carboxamide
CID 71809971

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-N-[(2-thiophen-3-ylphenyl)methyl]acetamide?
The IUPAC name of 2-(4-ethoxyphenyl)-N-[(2-thiophen-3-ylphenyl)methyl]acetamide (CID 71809931) is 2-(4-ethoxyphenyl)-N-[(2-thiophen-3-ylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(4-ethoxyphenyl)-N-[(2-thiophen-3-ylphenyl)methyl]acetamide?
The canonical SMILES for 2-(4-ethoxyphenyl)-N-[(2-thiophen-3-ylphenyl)methyl]acetamide is CCOc1ccc(CC(=O)NCc2ccccc2-c2ccsc2)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-N-[(2-thiophen-3-ylphenyl)methyl]acetamide?
The InChIKey is YNPQHEJJTHWTFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO2S/c1-2-24-19-9-7-16(8-10-19)13-21(23)22-14-17-5-3-4-6-20(17)18-11-12-25-15-18/h3-12,15H,2,13-14H2,1H3,(H,22,23).
What are the key properties of 2-(4-ethoxyphenyl)-N-[(2-thiophen-3-ylphenyl)methyl]acetamide?
2-(4-ethoxyphenyl)-N-[(2-thiophen-3-ylphenyl)methyl]acetamide has a molecular weight of 351.47 g/mol, XLogP of 4.67, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-N-[(2-thiophen-3-ylphenyl)methyl]acetamide is sourced from PubChem (CID 71809931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).