2-[4-(1,3-dithian-2-yl)phenoxy]-N-[2-(N-methylanilino)ethyl]acetamide

C21H26N2O2S2 — CID 25395818

IUPAC2-[4-(1,3-dithian-2-yl)phenoxy]-N-[2-(N-methylanilino)ethyl]acetamide
SMILESCN(CCNC(=O)COc1ccc(C2SCCCS2)cc1)c1ccccc1
InChIInChI=1S/C21H26N2O2S2/c1-23(18-6-3-2-4-7-18)13-12-22-20(24)16-25-19-10-8-17(9-11-19)21-26-14-5-15-27-21/h2-4,6-11,21H,5,12-16H2,1H3,(H,22,24)
InChIKeyYGMYHFOKIQJIML-UHFFFAOYSA-N
MW402.59 g/mol
LogP4.19
Rot. Bonds8

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

2-[4-(1,3-dithian-2-yl)phenoxy]-N-[2-(N-methylanilino)ethyl]acetamide (PubChem CID 25395818) has the molecular formula C21H26N2O2S2 and a molecular weight of 402.59 g/mol. Its IUPAC name is 2-[4-(1,3-dithian-2-yl)phenoxy]-N-[2-(N-methylanilino)ethyl]acetamide.

Molecular Properties

Compound Name2-[4-(1,3-dithian-2-yl)phenoxy]-N-[2-(N-methylanilino)ethyl]acetamide
PubChem CID25395818
Molecular FormulaC21H26N2O2S2
Molecular Weight402.59 g/mol
Exact Mass402.14
IUPAC Name2-[4-(1,3-dithian-2-yl)phenoxy]-N-[2-(N-methylanilino)ethyl]acetamide
SMILESCN(CCNC(=O)COc1ccc(C2SCCCS2)cc1)c1ccccc1
InChIInChI=1S/C21H26N2O2S2/c1-23(18-6-3-2-4-7-18)13-12-22-20(24)16-25-19-10-8-17(9-11-19)21-26-14-5-15-27-21/h2-4,6-11,21H,5,12-16H2,1H3,(H,22,24)
InChIKeyYGMYHFOKIQJIML-UHFFFAOYSA-N
XLogP4.19
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.59
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-(1,3-dithian-2-yl)phenoxy]-N-[2-(N-methylanilino)ethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(1,3-dithian-2-yl)phenoxy]-N-(2-phenylethyl)acetamide
CID 17478347
2-[4-(1,3-dithian-2-yl)phenoxy]-N-(pyridin-2-ylmethyl)acetamide
CID 51218811
N-(2-amino-2-phenylethyl)-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide;hydrochloride
CID 119527747
(2R)-2-[[2-[4-(1,3-dithian-2-yl)phenoxy]acetyl]amino]propanoic acid
CID 75429449
2-[4-(1,3-dithian-2-yl)phenoxy]-N-[4-(4-methylpiperidin-1-yl)butyl]acetamide
CID 55716486
4-(1,3-dithian-2-yl)-N-methyl-N-(2-phenoxyethyl)benzamide
CID 86906475
N-cyclooctyl-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide
CID 55382021
(2R)-2-[[2-[4-(1,3-dithian-2-yl)phenoxy]acetyl]amino]-N-propylpropanamide
CID 51578802
N-[2-[2-(diethylamino)ethoxy]phenyl]-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide
CID 55528270
N-[3-(N-methylanilino)propyl]-2-(4-nitrophenoxy)acetamide
CID 9012111
2-[4-(1,3-dithiolan-2-yl)phenoxy]-N-[(4-methylphenyl)methyl]acetamide
CID 9428045
2-[4-(1,3-dithian-2-yl)phenoxy]-N-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 60519416

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,3-dithian-2-yl)phenoxy]-N-[2-(N-methylanilino)ethyl]acetamide?
The IUPAC name of 2-[4-(1,3-dithian-2-yl)phenoxy]-N-[2-(N-methylanilino)ethyl]acetamide (CID 25395818) is 2-[4-(1,3-dithian-2-yl)phenoxy]-N-[2-(N-methylanilino)ethyl]acetamide.
What is the SMILES notation for 2-[4-(1,3-dithian-2-yl)phenoxy]-N-[2-(N-methylanilino)ethyl]acetamide?
The canonical SMILES for 2-[4-(1,3-dithian-2-yl)phenoxy]-N-[2-(N-methylanilino)ethyl]acetamide is CN(CCNC(=O)COc1ccc(C2SCCCS2)cc1)c1ccccc1.
What is the InChIKey of 2-[4-(1,3-dithian-2-yl)phenoxy]-N-[2-(N-methylanilino)ethyl]acetamide?
The InChIKey is YGMYHFOKIQJIML-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2S2/c1-23(18-6-3-2-4-7-18)13-12-22-20(24)16-25-19-10-8-17(9-11-19)21-26-14-5-15-27-21/h2-4,6-11,21H,5,12-16H2,1H3,(H,22,24).
What are the key properties of 2-[4-(1,3-dithian-2-yl)phenoxy]-N-[2-(N-methylanilino)ethyl]acetamide?
2-[4-(1,3-dithian-2-yl)phenoxy]-N-[2-(N-methylanilino)ethyl]acetamide has a molecular weight of 402.59 g/mol, XLogP of 4.19, 8 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-[2-(N-methylanilino)ethyl]acetamide is sourced from PubChem (CID 25395818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).