2-[4-(1,3-dithian-2-yl)phenoxy]-N-(pyridin-2-ylmethyl)acetamide

C18H20N2O2S2 — CID 51218811

IUPAC2-[4-(1,3-dithian-2-yl)phenoxy]-N-(pyridin-2-ylmethyl)acetamide
SMILESO=C(COc1ccc(C2SCCCS2)cc1)NCc1ccccn1
InChIInChI=1S/C18H20N2O2S2/c21-17(20-12-15-4-1-2-9-19-15)13-22-16-7-5-14(6-8-16)18-23-10-3-11-24-18/h1-2,4-9,18H,3,10-13H2,(H,20,21)
InChIKeyUFQJUWBUDFPKFL-UHFFFAOYSA-N
MW360.50 g/mol
LogP3.65
Rot. Bonds6

About 2-[4-(1,3-dithian-2-yl)phenoxy]-N-(pyridin-2-ylmethyl)acetamide

2-[4-(1,3-dithian-2-yl)phenoxy]-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 51218811) has the molecular formula C18H20N2O2S2 and a molecular weight of 360.50 g/mol. Its IUPAC name is 2-[4-(1,3-dithian-2-yl)phenoxy]-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[4-(1,3-dithian-2-yl)phenoxy]-N-(pyridin-2-ylmethyl)acetamide
PubChem CID51218811
Molecular FormulaC18H20N2O2S2
Molecular Weight360.50 g/mol
Exact Mass360.10
IUPAC Name2-[4-(1,3-dithian-2-yl)phenoxy]-N-(pyridin-2-ylmethyl)acetamide
SMILESO=C(COc1ccc(C2SCCCS2)cc1)NCc1ccccn1
InChIInChI=1S/C18H20N2O2S2/c21-17(20-12-15-4-1-2-9-19-15)13-22-16-7-5-14(6-8-16)18-23-10-3-11-24-18/h1-2,4-9,18H,3,10-13H2,(H,20,21)
InChIKeyUFQJUWBUDFPKFL-UHFFFAOYSA-N
XLogP3.65
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-phenoxy-N-(pyridin-2-ylmethyl)acetamide
CID 853197
2-[4-(1,3-dithian-2-yl)phenoxy]-N-(2-phenylethyl)acetamide
CID 17478347
2-(4-propoxyphenoxy)-N-(pyridin-2-ylmethyl)acetamide
CID 35750358
N-(2-amino-2-phenylethyl)-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide;hydrochloride
CID 119527747
2-[4-(1,3-dithian-2-yl)phenoxy]-N-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)acetamide
CID 55888582
2-[4-(1,3-dithian-2-yl)phenoxy]-N-[2-(N-methylanilino)ethyl]acetamide
CID 25395818
N-cyclooctyl-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide
CID 55382021
N-[(6-cyclopentyloxy-3-pyridinyl)methyl]-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide
CID 55800689
2-[4-(1,3-dithiolan-2-yl)phenoxy]-N-[(4-methylphenyl)methyl]acetamide
CID 9428045
2-[4-(1,3-dithian-2-yl)phenoxy]-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]acetamide
CID 55705683
2-[4-(1,3-dithian-2-yl)phenoxy]-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]acetamide
CID 55800584
(2R)-2-[[2-[4-(1,3-dithian-2-yl)phenoxy]acetyl]amino]propanoic acid
CID 75429449

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,3-dithian-2-yl)phenoxy]-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of 2-[4-(1,3-dithian-2-yl)phenoxy]-N-(pyridin-2-ylmethyl)acetamide (CID 51218811) is 2-[4-(1,3-dithian-2-yl)phenoxy]-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[4-(1,3-dithian-2-yl)phenoxy]-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for 2-[4-(1,3-dithian-2-yl)phenoxy]-N-(pyridin-2-ylmethyl)acetamide is O=C(COc1ccc(C2SCCCS2)cc1)NCc1ccccn1.
What is the InChIKey of 2-[4-(1,3-dithian-2-yl)phenoxy]-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is UFQJUWBUDFPKFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2S2/c21-17(20-12-15-4-1-2-9-19-15)13-22-16-7-5-14(6-8-16)18-23-10-3-11-24-18/h1-2,4-9,18H,3,10-13H2,(H,20,21).
What are the key properties of 2-[4-(1,3-dithian-2-yl)phenoxy]-N-(pyridin-2-ylmethyl)acetamide?
2-[4-(1,3-dithian-2-yl)phenoxy]-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 360.50 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,3-dithian-2-yl)phenoxy]-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 51218811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).