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

C18H21NO2S3 — CID 55383165

IUPAC2-[4-(1,3-dithian-2-yl)phenoxy]-N-methyl-N-(thiophen-2-ylmethyl)acetamide
SMILESCN(Cc1cccs1)C(=O)COc1ccc(C2SCCCS2)cc1
InChIInChI=1S/C18H21NO2S3/c1-19(12-16-4-2-9-22-16)17(20)13-21-15-7-5-14(6-8-15)18-23-10-3-11-24-18/h2,4-9,18H,3,10-13H2,1H3
InChIKeyZIQWPSJNJQULKK-UHFFFAOYSA-N
MW379.57 g/mol
LogP4.65
Rot. Bonds6

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

2-[4-(1,3-dithian-2-yl)phenoxy]-N-methyl-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 55383165) has the molecular formula C18H21NO2S3 and a molecular weight of 379.57 g/mol. Its IUPAC name is 2-[4-(1,3-dithian-2-yl)phenoxy]-N-methyl-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[4-(1,3-dithian-2-yl)phenoxy]-N-methyl-N-(thiophen-2-ylmethyl)acetamide
PubChem CID55383165
Molecular FormulaC18H21NO2S3
Molecular Weight379.57 g/mol
Exact Mass379.07
IUPAC Name2-[4-(1,3-dithian-2-yl)phenoxy]-N-methyl-N-(thiophen-2-ylmethyl)acetamide
SMILESCN(Cc1cccs1)C(=O)COc1ccc(C2SCCCS2)cc1
InChIInChI=1S/C18H21NO2S3/c1-19(12-16-4-2-9-22-16)17(20)13-21-15-7-5-14(6-8-15)18-23-10-3-11-24-18/h2,4-9,18H,3,10-13H2,1H3
InChIKeyZIQWPSJNJQULKK-UHFFFAOYSA-N
XLogP4.65
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.57
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-ethoxyphenoxy)-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 84601120
N-methyl-2-phenoxy-N-(thiophen-2-ylmethyl)acetamide
CID 78762396
2-(4-benzoylphenoxy)-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 2457089
N-methyl-2-(4-methylsulfonylphenoxy)-N-(thiophen-2-ylmethyl)acetamide
CID 51174659
2-(3,4-dimethylphenoxy)-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 78760305
2-[4-(1,3-dithian-2-yl)phenoxy]-N-methyl-N-piperidin-4-ylacetamide
CID 119441718
2-[cyclopropyl-[2-[4-(1,3-dithian-2-yl)phenoxy]acetyl]amino]propanoic acid
CID 119202241
2-(2-methoxyphenoxy)-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 78762295
(2S)-2-[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethoxy]propanoic acid
CID 104876158
[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetate
CID 16530869
4-(1,3-dithian-2-yl)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 78810036
N-methyl-2-piperidin-4-yloxy-N-(thiophen-2-ylmethyl)acetamide
CID 63876359

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,3-dithian-2-yl)phenoxy]-N-methyl-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-[4-(1,3-dithian-2-yl)phenoxy]-N-methyl-N-(thiophen-2-ylmethyl)acetamide (CID 55383165) is 2-[4-(1,3-dithian-2-yl)phenoxy]-N-methyl-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[4-(1,3-dithian-2-yl)phenoxy]-N-methyl-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-[4-(1,3-dithian-2-yl)phenoxy]-N-methyl-N-(thiophen-2-ylmethyl)acetamide is CN(Cc1cccs1)C(=O)COc1ccc(C2SCCCS2)cc1.
What is the InChIKey of 2-[4-(1,3-dithian-2-yl)phenoxy]-N-methyl-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is ZIQWPSJNJQULKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2S3/c1-19(12-16-4-2-9-22-16)17(20)13-21-15-7-5-14(6-8-15)18-23-10-3-11-24-18/h2,4-9,18H,3,10-13H2,1H3.
What are the key properties of 2-[4-(1,3-dithian-2-yl)phenoxy]-N-methyl-N-(thiophen-2-ylmethyl)acetamide?
2-[4-(1,3-dithian-2-yl)phenoxy]-N-methyl-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 379.57 g/mol, XLogP of 4.65, 6 rotatable bonds, 0 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-methyl-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 55383165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).