2-[2-(1,3-dithiolan-2-yl)phenoxy]-N-[(2-methylphenyl)methyl]acetamide

C19H21NO2S2 — CID 9184223

IUPAC2-[2-(1,3-dithiolan-2-yl)phenoxy]-N-[(2-methylphenyl)methyl]acetamide
SMILESCc1ccccc1CNC(=O)COc1ccccc1C1SCCS1
InChIInChI=1S/C19H21NO2S2/c1-14-6-2-3-7-15(14)12-20-18(21)13-22-17-9-5-4-8-16(17)19-23-10-11-24-19/h2-9,19H,10-13H2,1H3,(H,20,21)
InChIKeyHAKNJKIUDVJZEZ-UHFFFAOYSA-N
MW359.52 g/mol
LogP4.17
Rot. Bonds6

About 2-[2-(1,3-dithiolan-2-yl)phenoxy]-N-[(2-methylphenyl)methyl]acetamide

2-[2-(1,3-dithiolan-2-yl)phenoxy]-N-[(2-methylphenyl)methyl]acetamide (PubChem CID 9184223) has the molecular formula C19H21NO2S2 and a molecular weight of 359.52 g/mol. Its IUPAC name is 2-[2-(1,3-dithiolan-2-yl)phenoxy]-N-[(2-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[2-(1,3-dithiolan-2-yl)phenoxy]-N-[(2-methylphenyl)methyl]acetamide
PubChem CID9184223
Molecular FormulaC19H21NO2S2
Molecular Weight359.52 g/mol
Exact Mass359.10
IUPAC Name2-[2-(1,3-dithiolan-2-yl)phenoxy]-N-[(2-methylphenyl)methyl]acetamide
SMILESCc1ccccc1CNC(=O)COc1ccccc1C1SCCS1
InChIInChI=1S/C19H21NO2S2/c1-14-6-2-3-7-15(14)12-20-18(21)13-22-17-9-5-4-8-16(17)19-23-10-11-24-19/h2-9,19H,10-13H2,1H3,(H,20,21)
InChIKeyHAKNJKIUDVJZEZ-UHFFFAOYSA-N
XLogP4.17
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.52
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[2-(1,3-dithiolan-2-yl)phenoxy]-N-[(2-methylphenyl)methyl]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

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-[2-(1,3-dithiolan-2-yl)phenoxy]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 24536657
N'-[2-[2-(1,3-dithiolan-2-yl)phenoxy]acetyl]-2,5-dimethylfuran-3-carbohydrazide
CID 9277080
2-[2-(1,3-dithiolan-2-yl)phenoxy]-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 24609824
2-[[2-[2-(1,3-dithiolan-2-yl)phenoxy]acetyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 24673621
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
N-[(2-ethoxyphenyl)methyl]-2-(2-methylphenoxy)acetamide
CID 46778184
N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-2-[2-(1,3-dithiolan-2-yl)phenoxy]acetamide
CID 24586275
[2-(4-methylanilino)-2-oxoethyl] 2-[2-(1,3-dithiolan-2-yl)phenoxy]acetate
CID 9063344
2-ethoxy-N-[(2-methylphenyl)methyl]acetamide
CID 60646213

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,3-dithiolan-2-yl)phenoxy]-N-[(2-methylphenyl)methyl]acetamide?
The IUPAC name of 2-[2-(1,3-dithiolan-2-yl)phenoxy]-N-[(2-methylphenyl)methyl]acetamide (CID 9184223) is 2-[2-(1,3-dithiolan-2-yl)phenoxy]-N-[(2-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[2-(1,3-dithiolan-2-yl)phenoxy]-N-[(2-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-[2-(1,3-dithiolan-2-yl)phenoxy]-N-[(2-methylphenyl)methyl]acetamide is Cc1ccccc1CNC(=O)COc1ccccc1C1SCCS1.
What is the InChIKey of 2-[2-(1,3-dithiolan-2-yl)phenoxy]-N-[(2-methylphenyl)methyl]acetamide?
The InChIKey is HAKNJKIUDVJZEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2S2/c1-14-6-2-3-7-15(14)12-20-18(21)13-22-17-9-5-4-8-16(17)19-23-10-11-24-19/h2-9,19H,10-13H2,1H3,(H,20,21).
What are the key properties of 2-[2-(1,3-dithiolan-2-yl)phenoxy]-N-[(2-methylphenyl)methyl]acetamide?
2-[2-(1,3-dithiolan-2-yl)phenoxy]-N-[(2-methylphenyl)methyl]acetamide has a molecular weight of 359.52 g/mol, XLogP of 4.17, 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-[(2-methylphenyl)methyl]acetamide is sourced from PubChem (CID 9184223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).