2-[[2-[2-(1,3-dithiolan-2-yl)phenoxy]acetyl]amino]-N-ethylacetamide

C15H20N2O3S2 — CID 9224868

IUPAC2-[[2-[2-(1,3-dithiolan-2-yl)phenoxy]acetyl]amino]-N-ethylacetamide
SMILESCCNC(=O)CNC(=O)COc1ccccc1C1SCCS1
InChIInChI=1S/C15H20N2O3S2/c1-2-16-13(18)9-17-14(19)10-20-12-6-4-3-5-11(12)15-21-7-8-22-15/h3-6,15H,2,7-10H2,1H3,(H,16,18)(H,17,19)
InChIKeyXIFIFWPUUHFDSH-UHFFFAOYSA-N
MW340.47 g/mol
LogP1.80
Rot. Bonds7

About 2-[[2-[2-(1,3-dithiolan-2-yl)phenoxy]acetyl]amino]-N-ethylacetamide

2-[[2-[2-(1,3-dithiolan-2-yl)phenoxy]acetyl]amino]-N-ethylacetamide (PubChem CID 9224868) has the molecular formula C15H20N2O3S2 and a molecular weight of 340.47 g/mol. Its IUPAC name is 2-[[2-[2-(1,3-dithiolan-2-yl)phenoxy]acetyl]amino]-N-ethylacetamide.

Molecular Properties

Compound Name2-[[2-[2-(1,3-dithiolan-2-yl)phenoxy]acetyl]amino]-N-ethylacetamide
PubChem CID9224868
Molecular FormulaC15H20N2O3S2
Molecular Weight340.47 g/mol
Exact Mass340.09
IUPAC Name2-[[2-[2-(1,3-dithiolan-2-yl)phenoxy]acetyl]amino]-N-ethylacetamide
SMILESCCNC(=O)CNC(=O)COc1ccccc1C1SCCS1
InChIInChI=1S/C15H20N2O3S2/c1-2-16-13(18)9-17-14(19)10-20-12-6-4-3-5-11(12)15-21-7-8-22-15/h3-6,15H,2,7-10H2,1H3,(H,16,18)(H,17,19)
InChIKeyXIFIFWPUUHFDSH-UHFFFAOYSA-N
XLogP1.80
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(1,3-dithiolan-2-yl)phenoxy]-N-prop-2-enylacetamide
CID 9207552
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-[(2-methylphenyl)methyl]acetamide
CID 9184223
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-(1,3-dithiolan-2-yl)phenoxy]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 24536657
2-[2-(1,3-dithiolan-2-yl)phenoxy]-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 24609824
N'-[2-[2-(1,3-dithiolan-2-yl)phenoxy]acetyl]-2,5-dimethylfuran-3-carbohydrazide
CID 9277080
3-[[2-[2-(1,3-dithiolan-2-yl)phenoxy]acetyl]amino]benzamide
CID 17393269
N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-[2-(1,3-dithiolan-2-yl)phenoxy]acetamide
CID 24667503
N-[1-(3,4-difluorophenyl)ethyl]-2-[2-(1,3-dithiolan-2-yl)phenoxy]acetamide
CID 24545612
[2-(4-methylanilino)-2-oxoethyl] 2-[2-(1,3-dithiolan-2-yl)phenoxy]acetate
CID 9063344

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[2-(1,3-dithiolan-2-yl)phenoxy]acetyl]amino]-N-ethylacetamide?
The IUPAC name of 2-[[2-[2-(1,3-dithiolan-2-yl)phenoxy]acetyl]amino]-N-ethylacetamide (CID 9224868) is 2-[[2-[2-(1,3-dithiolan-2-yl)phenoxy]acetyl]amino]-N-ethylacetamide.
What is the SMILES notation for 2-[[2-[2-(1,3-dithiolan-2-yl)phenoxy]acetyl]amino]-N-ethylacetamide?
The canonical SMILES for 2-[[2-[2-(1,3-dithiolan-2-yl)phenoxy]acetyl]amino]-N-ethylacetamide is CCNC(=O)CNC(=O)COc1ccccc1C1SCCS1.
What is the InChIKey of 2-[[2-[2-(1,3-dithiolan-2-yl)phenoxy]acetyl]amino]-N-ethylacetamide?
The InChIKey is XIFIFWPUUHFDSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S2/c1-2-16-13(18)9-17-14(19)10-20-12-6-4-3-5-11(12)15-21-7-8-22-15/h3-6,15H,2,7-10H2,1H3,(H,16,18)(H,17,19).
What are the key properties of 2-[[2-[2-(1,3-dithiolan-2-yl)phenoxy]acetyl]amino]-N-ethylacetamide?
2-[[2-[2-(1,3-dithiolan-2-yl)phenoxy]acetyl]amino]-N-ethylacetamide has a molecular weight of 340.47 g/mol, XLogP of 1.80, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[2-(1,3-dithiolan-2-yl)phenoxy]acetyl]amino]-N-ethylacetamide is sourced from PubChem (CID 9224868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).