2-[2-(1,3-dithiolan-2-yl)phenoxy]-N-(3,4,5-trimethoxyphenyl)acetamide

C20H23NO5S2 — CID 24536657

IUPAC2-[2-(1,3-dithiolan-2-yl)phenoxy]-N-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(NC(=O)COc2ccccc2C2SCCS2)cc(OC)c1OC
InChIInChI=1S/C20H23NO5S2/c1-23-16-10-13(11-17(24-2)19(16)25-3)21-18(22)12-26-15-7-5-4-6-14(15)20-27-8-9-28-20/h4-7,10-11,20H,8-9,12H2,1-3H3,(H,21,22)
InChIKeyZQUIFHOUNYVFGW-UHFFFAOYSA-N
MW421.54 g/mol
LogP4.21
Rot. Bonds8

About 2-[2-(1,3-dithiolan-2-yl)phenoxy]-N-(3,4,5-trimethoxyphenyl)acetamide

2-[2-(1,3-dithiolan-2-yl)phenoxy]-N-(3,4,5-trimethoxyphenyl)acetamide (PubChem CID 24536657) has the molecular formula C20H23NO5S2 and a molecular weight of 421.54 g/mol. Its IUPAC name is 2-[2-(1,3-dithiolan-2-yl)phenoxy]-N-(3,4,5-trimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(1,3-dithiolan-2-yl)phenoxy]-N-(3,4,5-trimethoxyphenyl)acetamide
PubChem CID24536657
Molecular FormulaC20H23NO5S2
Molecular Weight421.54 g/mol
Exact Mass421.10
IUPAC Name2-[2-(1,3-dithiolan-2-yl)phenoxy]-N-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(NC(=O)COc2ccccc2C2SCCS2)cc(OC)c1OC
InChIInChI=1S/C20H23NO5S2/c1-23-16-10-13(11-17(24-2)19(16)25-3)21-18(22)12-26-15-7-5-4-6-14(15)20-27-8-9-28-20/h4-7,10-11,20H,8-9,12H2,1-3H3,(H,21,22)
InChIKeyZQUIFHOUNYVFGW-UHFFFAOYSA-N
XLogP4.21
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.54
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[[2-[2-(1,3-dithiolan-2-yl)phenoxy]acetyl]amino]benzamide
CID 17393269
N-(2-chlorophenyl)-2-[2-(1,3-dithiolan-2-yl)phenoxy]acetamide
CID 9032046
2-(2-tert-butylphenoxy)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 24536655
2-[[2-[2-(1,3-dithiolan-2-yl)phenoxy]acetyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 24673621
[2-(4-methylanilino)-2-oxoethyl] 2-[2-(1,3-dithiolan-2-yl)phenoxy]acetate
CID 9063344
2-[2-(1,3-dithiolan-2-yl)phenoxy]-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 9263825
2-[2-(1,3-dithiolan-2-yl)phenoxy]-N-[(2-methylphenyl)methyl]acetamide
CID 9184223
2-[[2-[2-(1,3-dithiolan-2-yl)phenoxy]acetyl]amino]-N-ethylacetamide
CID 9224868
2-[2-(1,3-dithiolan-2-yl)phenoxy]-N-prop-2-enylacetamide
CID 9207552
[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] acetate
CID 1252029
N'-[2-[2-(1,3-dithiolan-2-yl)phenoxy]acetyl]-2,5-dimethylfuran-3-carbohydrazide
CID 9277080
2-[4-(1,3-dithiolan-2-yl)phenoxy]-N-(2-methoxyphenyl)acetamide
CID 17397411

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,3-dithiolan-2-yl)phenoxy]-N-(3,4,5-trimethoxyphenyl)acetamide?
The IUPAC name of 2-[2-(1,3-dithiolan-2-yl)phenoxy]-N-(3,4,5-trimethoxyphenyl)acetamide (CID 24536657) is 2-[2-(1,3-dithiolan-2-yl)phenoxy]-N-(3,4,5-trimethoxyphenyl)acetamide.
What is the SMILES notation for 2-[2-(1,3-dithiolan-2-yl)phenoxy]-N-(3,4,5-trimethoxyphenyl)acetamide?
The canonical SMILES for 2-[2-(1,3-dithiolan-2-yl)phenoxy]-N-(3,4,5-trimethoxyphenyl)acetamide is COc1cc(NC(=O)COc2ccccc2C2SCCS2)cc(OC)c1OC.
What is the InChIKey of 2-[2-(1,3-dithiolan-2-yl)phenoxy]-N-(3,4,5-trimethoxyphenyl)acetamide?
The InChIKey is ZQUIFHOUNYVFGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO5S2/c1-23-16-10-13(11-17(24-2)19(16)25-3)21-18(22)12-26-15-7-5-4-6-14(15)20-27-8-9-28-20/h4-7,10-11,20H,8-9,12H2,1-3H3,(H,21,22).
What are the key properties of 2-[2-(1,3-dithiolan-2-yl)phenoxy]-N-(3,4,5-trimethoxyphenyl)acetamide?
2-[2-(1,3-dithiolan-2-yl)phenoxy]-N-(3,4,5-trimethoxyphenyl)acetamide has a molecular weight of 421.54 g/mol, XLogP of 4.21, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,3-dithiolan-2-yl)phenoxy]-N-(3,4,5-trimethoxyphenyl)acetamide is sourced from PubChem (CID 24536657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).