2-[2-(1,3-dithiolan-2-yl)phenoxy]-N-prop-2-enylacetamide

C14H17NO2S2 — CID 9207552

IUPAC2-[2-(1,3-dithiolan-2-yl)phenoxy]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)COc1ccccc1C1SCCS1
InChIInChI=1S/C14H17NO2S2/c1-2-7-15-13(16)10-17-12-6-4-3-5-11(12)14-18-8-9-19-14/h2-6,14H,1,7-10H2,(H,15,16)
InChIKeyPUTHYRBZWHFXOY-UHFFFAOYSA-N
MW295.43 g/mol
LogP2.85
Rot. Bonds6

About 2-[2-(1,3-dithiolan-2-yl)phenoxy]-N-prop-2-enylacetamide

2-[2-(1,3-dithiolan-2-yl)phenoxy]-N-prop-2-enylacetamide (PubChem CID 9207552) has the molecular formula C14H17NO2S2 and a molecular weight of 295.43 g/mol. Its IUPAC name is 2-[2-(1,3-dithiolan-2-yl)phenoxy]-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-[2-(1,3-dithiolan-2-yl)phenoxy]-N-prop-2-enylacetamide
PubChem CID9207552
Molecular FormulaC14H17NO2S2
Molecular Weight295.43 g/mol
Exact Mass295.07
IUPAC Name2-[2-(1,3-dithiolan-2-yl)phenoxy]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)COc1ccccc1C1SCCS1
InChIInChI=1S/C14H17NO2S2/c1-2-7-15-13(16)10-17-12-6-4-3-5-11(12)14-18-8-9-19-14/h2-6,14H,1,7-10H2,(H,15,16)
InChIKeyPUTHYRBZWHFXOY-UHFFFAOYSA-N
XLogP2.85
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[2-(1,3-dithiolan-2-yl)phenoxy]-N-prop-2-enylacetamide 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-[[2-[2-(1,3-dithiolan-2-yl)phenoxy]acetyl]amino]-N-ethylacetamide
CID 9224868
2-[2-(1,3-dithiolan-2-yl)phenoxy]-N-[(2-methylphenyl)methyl]acetamide
CID 9184223
2-(2-phenylphenoxy)-N-prop-2-enylacetamide
CID 7971284
N-(2-chlorophenyl)-2-[2-(1,3-dithiolan-2-yl)phenoxy]acetamide
CID 9032046
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-[2-(1,3-dithiolan-2-yl)phenoxy]acetate
CID 9063506
2-[[2-[2-(1,3-dithiolan-2-yl)phenoxy]acetyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 24673621
2-[2-(1,3-dithiolan-2-yl)phenoxy]-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 24609824
3-[[2-[2-(1,3-dithiolan-2-yl)phenoxy]acetyl]amino]benzamide
CID 17393269
2-[2-(1,3-dithiolan-2-yl)phenoxy]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 24536657
[2-(4-methylanilino)-2-oxoethyl] 2-[2-(1,3-dithiolan-2-yl)phenoxy]acetate
CID 9063344
N'-[2-[2-(1,3-dithiolan-2-yl)phenoxy]acetyl]-2,5-dimethylfuran-3-carbohydrazide
CID 9277080
2-[2-[1-(methylamino)ethyl]phenoxy]-N-prop-2-enylacetamide
CID 60882862

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,3-dithiolan-2-yl)phenoxy]-N-prop-2-enylacetamide?
The IUPAC name of 2-[2-(1,3-dithiolan-2-yl)phenoxy]-N-prop-2-enylacetamide (CID 9207552) is 2-[2-(1,3-dithiolan-2-yl)phenoxy]-N-prop-2-enylacetamide.
What is the SMILES notation for 2-[2-(1,3-dithiolan-2-yl)phenoxy]-N-prop-2-enylacetamide?
The canonical SMILES for 2-[2-(1,3-dithiolan-2-yl)phenoxy]-N-prop-2-enylacetamide is C=CCNC(=O)COc1ccccc1C1SCCS1.
What is the InChIKey of 2-[2-(1,3-dithiolan-2-yl)phenoxy]-N-prop-2-enylacetamide?
The InChIKey is PUTHYRBZWHFXOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2S2/c1-2-7-15-13(16)10-17-12-6-4-3-5-11(12)14-18-8-9-19-14/h2-6,14H,1,7-10H2,(H,15,16).
What are the key properties of 2-[2-(1,3-dithiolan-2-yl)phenoxy]-N-prop-2-enylacetamide?
2-[2-(1,3-dithiolan-2-yl)phenoxy]-N-prop-2-enylacetamide has a molecular weight of 295.43 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,3-dithiolan-2-yl)phenoxy]-N-prop-2-enylacetamide is sourced from PubChem (CID 9207552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).