2-[4-(1,3-dithian-2-yl)phenoxy]-N-(2-ethyl-6-methylphenyl)acetamide

C21H25NO2S2 — CID 55382007

IUPAC2-[4-(1,3-dithian-2-yl)phenoxy]-N-(2-ethyl-6-methylphenyl)acetamide
SMILESCCc1cccc(C)c1NC(=O)COc1ccc(C2SCCCS2)cc1
InChIInChI=1S/C21H25NO2S2/c1-3-16-7-4-6-15(2)20(16)22-19(23)14-24-18-10-8-17(9-11-18)21-25-12-5-13-26-21/h4,6-11,21H,3,5,12-14H2,1-2H3,(H,22,23)
InChIKeyVYQGUSKNZZCGEA-UHFFFAOYSA-N
MW387.57 g/mol
LogP5.44
Rot. Bonds6

About 2-[4-(1,3-dithian-2-yl)phenoxy]-N-(2-ethyl-6-methylphenyl)acetamide

2-[4-(1,3-dithian-2-yl)phenoxy]-N-(2-ethyl-6-methylphenyl)acetamide (PubChem CID 55382007) has the molecular formula C21H25NO2S2 and a molecular weight of 387.57 g/mol. Its IUPAC name is 2-[4-(1,3-dithian-2-yl)phenoxy]-N-(2-ethyl-6-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(1,3-dithian-2-yl)phenoxy]-N-(2-ethyl-6-methylphenyl)acetamide
PubChem CID55382007
Molecular FormulaC21H25NO2S2
Molecular Weight387.57 g/mol
Exact Mass387.13
IUPAC Name2-[4-(1,3-dithian-2-yl)phenoxy]-N-(2-ethyl-6-methylphenyl)acetamide
SMILESCCc1cccc(C)c1NC(=O)COc1ccc(C2SCCCS2)cc1
InChIInChI=1S/C21H25NO2S2/c1-3-16-7-4-6-15(2)20(16)22-19(23)14-24-18-10-8-17(9-11-18)21-25-12-5-13-26-21/h4,6-11,21H,3,5,12-14H2,1-2H3,(H,22,23)
InChIKeyVYQGUSKNZZCGEA-UHFFFAOYSA-N
XLogP5.44
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.57
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethyl-6-methylphenyl)-2-[4-(4-methylphenyl)phenoxy]acetamide
CID 19172373
methyl 3-[[2-[4-(1,3-dithian-2-yl)phenoxy]acetyl]amino]-4-methylbenzoate
CID 26285619
2-[4-(1,3-dithian-2-yl)phenoxy]-N-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 60519416
2-(2,3-dihydro-1H-inden-5-yloxy)-N-(2-ethyl-6-methylphenyl)acetamide
CID 2080510
2-[4-(1,3-dithian-2-yl)phenoxy]-N-(3-fluoro-4-methylphenyl)acetamide
CID 60594803
2-(3,5-dimethylphenoxy)-N-(2-ethyl-6-methylphenyl)acetamide
CID 769435
N-(2,6-dichloro-3-methylphenyl)-2-[4-(1,3-dithiolan-2-yl)phenoxy]acetamide
CID 7744134
N-(2-chloro-4,6-dimethylphenyl)-2-[4-(1,3-dithiolan-2-yl)phenoxy]acetamide
CID 7744080
[2-(2,6-diethylanilino)-2-oxoethyl] 4-(1,3-dithiolan-2-yl)benzoate
CID 7744451
2-[4-(1,3-dithian-2-yl)phenoxy]-N-(2,3,4-trifluorophenyl)acetamide
CID 55382041
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] acetate
CID 2109366
(2R)-2-[[2-[4-(1,3-dithian-2-yl)phenoxy]acetyl]amino]-N-propylpropanamide
CID 51578802

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,3-dithian-2-yl)phenoxy]-N-(2-ethyl-6-methylphenyl)acetamide?
The IUPAC name of 2-[4-(1,3-dithian-2-yl)phenoxy]-N-(2-ethyl-6-methylphenyl)acetamide (CID 55382007) is 2-[4-(1,3-dithian-2-yl)phenoxy]-N-(2-ethyl-6-methylphenyl)acetamide.
What is the SMILES notation for 2-[4-(1,3-dithian-2-yl)phenoxy]-N-(2-ethyl-6-methylphenyl)acetamide?
The canonical SMILES for 2-[4-(1,3-dithian-2-yl)phenoxy]-N-(2-ethyl-6-methylphenyl)acetamide is CCc1cccc(C)c1NC(=O)COc1ccc(C2SCCCS2)cc1.
What is the InChIKey of 2-[4-(1,3-dithian-2-yl)phenoxy]-N-(2-ethyl-6-methylphenyl)acetamide?
The InChIKey is VYQGUSKNZZCGEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO2S2/c1-3-16-7-4-6-15(2)20(16)22-19(23)14-24-18-10-8-17(9-11-18)21-25-12-5-13-26-21/h4,6-11,21H,3,5,12-14H2,1-2H3,(H,22,23).
What are the key properties of 2-[4-(1,3-dithian-2-yl)phenoxy]-N-(2-ethyl-6-methylphenyl)acetamide?
2-[4-(1,3-dithian-2-yl)phenoxy]-N-(2-ethyl-6-methylphenyl)acetamide has a molecular weight of 387.57 g/mol, XLogP of 5.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,3-dithian-2-yl)phenoxy]-N-(2-ethyl-6-methylphenyl)acetamide is sourced from PubChem (CID 55382007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).