2-(4-ethylsulfanylphenyl)-N-[4-[2-(methoxymethyl)phenyl]thiophen-2-yl]acetamide

C22H23NO2S2 — CID 142495485

IUPAC2-(4-ethylsulfanylphenyl)-N-[4-[2-(methoxymethyl)phenyl]thiophen-2-yl]acetamide
SMILESCCSc1ccc(CC(=O)Nc2cc(-c3ccccc3COC)cs2)cc1
InChIInChI=1S/C22H23NO2S2/c1-3-26-19-10-8-16(9-11-19)12-21(24)23-22-13-18(15-27-22)20-7-5-4-6-17(20)14-25-2/h4-11,13,15H,3,12,14H2,1-2H3,(H,23,24)
InChIKeyODDKSVKTCDVTFH-UHFFFAOYSA-N
MW397.57 g/mol
LogP5.85
Rot. Bonds8

About 2-(4-ethylsulfanylphenyl)-N-[4-[2-(methoxymethyl)phenyl]thiophen-2-yl]acetamide

2-(4-ethylsulfanylphenyl)-N-[4-[2-(methoxymethyl)phenyl]thiophen-2-yl]acetamide (PubChem CID 142495485) has the molecular formula C22H23NO2S2 and a molecular weight of 397.57 g/mol. Its IUPAC name is 2-(4-ethylsulfanylphenyl)-N-[4-[2-(methoxymethyl)phenyl]thiophen-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-ethylsulfanylphenyl)-N-[4-[2-(methoxymethyl)phenyl]thiophen-2-yl]acetamide
PubChem CID142495485
Molecular FormulaC22H23NO2S2
Molecular Weight397.57 g/mol
Exact Mass397.12
IUPAC Name2-(4-ethylsulfanylphenyl)-N-[4-[2-(methoxymethyl)phenyl]thiophen-2-yl]acetamide
SMILESCCSc1ccc(CC(=O)Nc2cc(-c3ccccc3COC)cs2)cc1
InChIInChI=1S/C22H23NO2S2/c1-3-26-19-10-8-16(9-11-19)12-21(24)23-22-13-18(15-27-22)20-7-5-4-6-17(20)14-25-2/h4-11,13,15H,3,12,14H2,1-2H3,(H,23,24)
InChIKeyODDKSVKTCDVTFH-UHFFFAOYSA-N
XLogP5.85
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.57
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylsulfanylphenyl)-N-[4-[2-(methoxymethyl)phenyl]thiophen-2-yl]acetamide?
The IUPAC name of 2-(4-ethylsulfanylphenyl)-N-[4-[2-(methoxymethyl)phenyl]thiophen-2-yl]acetamide (CID 142495485) is 2-(4-ethylsulfanylphenyl)-N-[4-[2-(methoxymethyl)phenyl]thiophen-2-yl]acetamide.
What is the SMILES notation for 2-(4-ethylsulfanylphenyl)-N-[4-[2-(methoxymethyl)phenyl]thiophen-2-yl]acetamide?
The canonical SMILES for 2-(4-ethylsulfanylphenyl)-N-[4-[2-(methoxymethyl)phenyl]thiophen-2-yl]acetamide is CCSc1ccc(CC(=O)Nc2cc(-c3ccccc3COC)cs2)cc1.
What is the InChIKey of 2-(4-ethylsulfanylphenyl)-N-[4-[2-(methoxymethyl)phenyl]thiophen-2-yl]acetamide?
The InChIKey is ODDKSVKTCDVTFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO2S2/c1-3-26-19-10-8-16(9-11-19)12-21(24)23-22-13-18(15-27-22)20-7-5-4-6-17(20)14-25-2/h4-11,13,15H,3,12,14H2,1-2H3,(H,23,24).
What are the key properties of 2-(4-ethylsulfanylphenyl)-N-[4-[2-(methoxymethyl)phenyl]thiophen-2-yl]acetamide?
2-(4-ethylsulfanylphenyl)-N-[4-[2-(methoxymethyl)phenyl]thiophen-2-yl]acetamide has a molecular weight of 397.57 g/mol, XLogP of 5.85, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylsulfanylphenyl)-N-[4-[2-(methoxymethyl)phenyl]thiophen-2-yl]acetamide is sourced from PubChem (CID 142495485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).