2-(4-ethoxyphenyl)-N-[2-(thiophen-3-ylmethylsulfanyl)phenyl]acetamide

C21H21NO2S2 — CID 24514543

IUPAC2-(4-ethoxyphenyl)-N-[2-(thiophen-3-ylmethylsulfanyl)phenyl]acetamide
SMILESCCOc1ccc(CC(=O)Nc2ccccc2SCc2ccsc2)cc1
InChIInChI=1S/C21H21NO2S2/c1-2-24-18-9-7-16(8-10-18)13-21(23)22-19-5-3-4-6-20(19)26-15-17-11-12-25-14-17/h3-12,14H,2,13,15H2,1H3,(H,22,23)
InChIKeyLAEWKQOUOCCZON-UHFFFAOYSA-N
MW383.54 g/mol
LogP5.62
Rot. Bonds8

About 2-(4-ethoxyphenyl)-N-[2-(thiophen-3-ylmethylsulfanyl)phenyl]acetamide

2-(4-ethoxyphenyl)-N-[2-(thiophen-3-ylmethylsulfanyl)phenyl]acetamide (PubChem CID 24514543) has the molecular formula C21H21NO2S2 and a molecular weight of 383.54 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-N-[2-(thiophen-3-ylmethylsulfanyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-N-[2-(thiophen-3-ylmethylsulfanyl)phenyl]acetamide
PubChem CID24514543
Molecular FormulaC21H21NO2S2
Molecular Weight383.54 g/mol
Exact Mass383.10
IUPAC Name2-(4-ethoxyphenyl)-N-[2-(thiophen-3-ylmethylsulfanyl)phenyl]acetamide
SMILESCCOc1ccc(CC(=O)Nc2ccccc2SCc2ccsc2)cc1
InChIInChI=1S/C21H21NO2S2/c1-2-24-18-9-7-16(8-10-18)13-21(23)22-19-5-3-4-6-20(19)26-15-17-11-12-25-14-17/h3-12,14H,2,13,15H2,1H3,(H,22,23)
InChIKeyLAEWKQOUOCCZON-UHFFFAOYSA-N
XLogP5.62
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.54
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-cyanophenoxy)-N-[2-(thiophen-3-ylmethylsulfanyl)phenyl]acetamide
CID 18275752
N-[2-(4-ethoxyphenoxy)phenyl]-2-thiophen-3-ylacetamide
CID 8002490
2-(4-ethoxyphenyl)-N-[2-(hydroxymethyl)phenyl]acetamide
CID 60653646
N-(2-ethylphenyl)-2-thiophen-3-ylacetamide
CID 7750935
N-(2-aminophenyl)-2-(4-ethoxyphenyl)acetamide
CID 28866981
4-fluoro-N-[2-(thiophen-3-ylmethylsulfanyl)phenyl]benzamide
CID 26771125
N-[2-(4-ethoxyphenoxy)phenyl]-2-(4-hydroxyphenyl)acetamide
CID 78838328
3-(difluoromethoxy)-N-[2-(thiophen-3-ylmethylsulfanyl)phenyl]benzamide
CID 24514517
2-(4-nitrophenyl)sulfanyl-N-[2-(thiophen-3-ylmethylsulfanyl)phenyl]acetamide
CID 24514537
2-(4-ethoxyphenyl)-N-[(2-thiophen-3-ylphenyl)methyl]acetamide
CID 71809931
2,4-difluoro-N-[2-(thiophen-3-ylmethylsulfanyl)phenyl]benzamide
CID 26771142
N-[2-(1-bromoethyl)phenyl]-2-thiophen-3-ylacetamide
CID 114315609

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-N-[2-(thiophen-3-ylmethylsulfanyl)phenyl]acetamide?
The IUPAC name of 2-(4-ethoxyphenyl)-N-[2-(thiophen-3-ylmethylsulfanyl)phenyl]acetamide (CID 24514543) is 2-(4-ethoxyphenyl)-N-[2-(thiophen-3-ylmethylsulfanyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-ethoxyphenyl)-N-[2-(thiophen-3-ylmethylsulfanyl)phenyl]acetamide?
The canonical SMILES for 2-(4-ethoxyphenyl)-N-[2-(thiophen-3-ylmethylsulfanyl)phenyl]acetamide is CCOc1ccc(CC(=O)Nc2ccccc2SCc2ccsc2)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-N-[2-(thiophen-3-ylmethylsulfanyl)phenyl]acetamide?
The InChIKey is LAEWKQOUOCCZON-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO2S2/c1-2-24-18-9-7-16(8-10-18)13-21(23)22-19-5-3-4-6-20(19)26-15-17-11-12-25-14-17/h3-12,14H,2,13,15H2,1H3,(H,22,23).
What are the key properties of 2-(4-ethoxyphenyl)-N-[2-(thiophen-3-ylmethylsulfanyl)phenyl]acetamide?
2-(4-ethoxyphenyl)-N-[2-(thiophen-3-ylmethylsulfanyl)phenyl]acetamide has a molecular weight of 383.54 g/mol, XLogP of 5.62, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-N-[2-(thiophen-3-ylmethylsulfanyl)phenyl]acetamide is sourced from PubChem (CID 24514543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).