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

C21H25NO4S2 — CID 17478496

IUPAC2-[4-(1,3-dithian-2-yl)phenoxy]-N-[2-(2-methoxyphenoxy)ethyl]acetamide
SMILESCOc1ccccc1OCCNC(=O)COc1ccc(C2SCCCS2)cc1
InChIInChI=1S/C21H25NO4S2/c1-24-18-5-2-3-6-19(18)25-12-11-22-20(23)15-26-17-9-7-16(8-10-17)21-27-13-4-14-28-21/h2-3,5-10,21H,4,11-15H2,1H3,(H,22,23)
InChIKeyJSQGRIDHHYIBQD-UHFFFAOYSA-N
MW419.57 g/mol
LogP4.14
Rot. Bonds9

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

2-[4-(1,3-dithian-2-yl)phenoxy]-N-[2-(2-methoxyphenoxy)ethyl]acetamide (PubChem CID 17478496) has the molecular formula C21H25NO4S2 and a molecular weight of 419.57 g/mol. Its IUPAC name is 2-[4-(1,3-dithian-2-yl)phenoxy]-N-[2-(2-methoxyphenoxy)ethyl]acetamide.

Molecular Properties

Compound Name2-[4-(1,3-dithian-2-yl)phenoxy]-N-[2-(2-methoxyphenoxy)ethyl]acetamide
PubChem CID17478496
Molecular FormulaC21H25NO4S2
Molecular Weight419.57 g/mol
Exact Mass419.12
IUPAC Name2-[4-(1,3-dithian-2-yl)phenoxy]-N-[2-(2-methoxyphenoxy)ethyl]acetamide
SMILESCOc1ccccc1OCCNC(=O)COc1ccc(C2SCCCS2)cc1
InChIInChI=1S/C21H25NO4S2/c1-24-18-5-2-3-6-19(18)25-12-11-22-20(23)15-26-17-9-7-16(8-10-17)21-27-13-4-14-28-21/h2-3,5-10,21H,4,11-15H2,1H3,(H,22,23)
InChIKeyJSQGRIDHHYIBQD-UHFFFAOYSA-N
XLogP4.14
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.57
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[4-(1,3-dithian-2-yl)phenoxy]-N-[2-(2-methoxyphenoxy)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

N-[(2,2-diphenyl-1,3-dithiolan-4-yl)methyl]-2-(2-methoxyphenoxy)ethanamine
CID 46881382
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(4-methylphenyl)sulfanylacetamide
CID 4791683
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(2,4,6-trimethylphenoxy)acetamide
CID 16324411
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(2-ethylphenoxy)acetamide
CID 16316355
2-(4-ethylphenoxy)-N-(2-phenoxyethyl)acetamide
CID 1811244
N-[2-(2-methoxyphenoxy)ethyl]-3-(4-methoxyphenyl)acrylamide
CID 2289398
N-{2-[(3-chlorobenzyl)thio]ethyl}-2-(2-methoxyphenoxy)acetamide
CID 2264233
N-{2-[(2-chlorobenzyl)thio]ethyl}-2-(2-methoxyphenoxy)acetamide
CID 2283469
N-{2-[(4-chlorobenzyl)thio]ethyl}-2-(2-methoxyphenoxy)acetamide
CID 2292128
2-(4-Methylphenoxy)ethyl 4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanoate
CID 18206470
methyl (2R)-2-[[(Z)-2-acetyloxy-3-(3,4-diacetyloxyphenyl)prop-2-enoyl]amino]-3-benzylsulfanylpropanoate
CID 71462899
N-[2-(4-methylphenoxy)ethyl]-4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanamide
CID 24687819

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,3-dithian-2-yl)phenoxy]-N-[2-(2-methoxyphenoxy)ethyl]acetamide?
The IUPAC name of 2-[4-(1,3-dithian-2-yl)phenoxy]-N-[2-(2-methoxyphenoxy)ethyl]acetamide (CID 17478496) is 2-[4-(1,3-dithian-2-yl)phenoxy]-N-[2-(2-methoxyphenoxy)ethyl]acetamide.
What is the SMILES notation for 2-[4-(1,3-dithian-2-yl)phenoxy]-N-[2-(2-methoxyphenoxy)ethyl]acetamide?
The canonical SMILES for 2-[4-(1,3-dithian-2-yl)phenoxy]-N-[2-(2-methoxyphenoxy)ethyl]acetamide is COc1ccccc1OCCNC(=O)COc1ccc(C2SCCCS2)cc1.
What is the InChIKey of 2-[4-(1,3-dithian-2-yl)phenoxy]-N-[2-(2-methoxyphenoxy)ethyl]acetamide?
The InChIKey is JSQGRIDHHYIBQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO4S2/c1-24-18-5-2-3-6-19(18)25-12-11-22-20(23)15-26-17-9-7-16(8-10-17)21-27-13-4-14-28-21/h2-3,5-10,21H,4,11-15H2,1H3,(H,22,23).
What are the key properties of 2-[4-(1,3-dithian-2-yl)phenoxy]-N-[2-(2-methoxyphenoxy)ethyl]acetamide?
2-[4-(1,3-dithian-2-yl)phenoxy]-N-[2-(2-methoxyphenoxy)ethyl]acetamide has a molecular weight of 419.57 g/mol, XLogP of 4.14, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,3-dithian-2-yl)phenoxy]-N-[2-(2-methoxyphenoxy)ethyl]acetamide is sourced from PubChem (CID 17478496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).