2-[[2-[2-(1,3-dithiolan-2-yl)phenoxy]acetyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide

C21H24N2O4S2 — CID 24673621

IUPAC2-[[2-[2-(1,3-dithiolan-2-yl)phenoxy]acetyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide
SMILESCOc1ccc(C)cc1NC(=O)CNC(=O)COc1ccccc1C1SCCS1
InChIInChI=1S/C21H24N2O4S2/c1-14-7-8-18(26-2)16(11-14)23-19(24)12-22-20(25)13-27-17-6-4-3-5-15(17)21-28-9-10-29-21/h3-8,11,21H,9-10,12-13H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyQXSVUVHOHOENHG-UHFFFAOYSA-N
MW432.57 g/mol
LogP3.62
Rot. Bonds8

About 2-[[2-[2-(1,3-dithiolan-2-yl)phenoxy]acetyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide

2-[[2-[2-(1,3-dithiolan-2-yl)phenoxy]acetyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide (PubChem CID 24673621) has the molecular formula C21H24N2O4S2 and a molecular weight of 432.57 g/mol. Its IUPAC name is 2-[[2-[2-(1,3-dithiolan-2-yl)phenoxy]acetyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-[2-(1,3-dithiolan-2-yl)phenoxy]acetyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide
PubChem CID24673621
Molecular FormulaC21H24N2O4S2
Molecular Weight432.57 g/mol
Exact Mass432.12
IUPAC Name2-[[2-[2-(1,3-dithiolan-2-yl)phenoxy]acetyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide
SMILESCOc1ccc(C)cc1NC(=O)CNC(=O)COc1ccccc1C1SCCS1
InChIInChI=1S/C21H24N2O4S2/c1-14-7-8-18(26-2)16(11-14)23-19(24)12-22-20(25)13-27-17-6-4-3-5-15(17)21-28-9-10-29-21/h3-8,11,21H,9-10,12-13H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyQXSVUVHOHOENHG-UHFFFAOYSA-N
XLogP3.62
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.57
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[[2-[2-(1,3-dithiolan-2-yl)phenoxy]acetyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide with MolForge

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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-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 9263825
2-[2-(1,3-dithiolan-2-yl)phenoxy]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 24536657
N-(2-chlorophenyl)-2-[2-(1,3-dithiolan-2-yl)phenoxy]acetamide
CID 9032046
N-(2-methoxy-5-methylphenyl)-2-[2-(trifluoromethyl)phenoxy]acetamide
CID 51283496
2-[2-(1,3-dithiolan-2-yl)phenoxy]-N-prop-2-enylacetamide
CID 9207552
N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]benzamide
CID 9215526
[2-(4-methylanilino)-2-oxoethyl] 2-[2-(1,3-dithiolan-2-yl)phenoxy]acetate
CID 9063344
2-(2,5-dimethylphenoxy)-N-(2-methoxy-5-methylphenyl)acetamide
CID 807483
N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-[2-(1,3-dithiolan-2-yl)phenoxy]acetamide
CID 24667503
2-[[2-(2-methoxyphenoxy)acetyl]amino]-N-(2-methylphenyl)acetamide
CID 112996058
N-cyclopropyl-2-[[2-(2-methoxy-4-methylphenoxy)acetyl]amino]acetamide
CID 18163671

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[2-(1,3-dithiolan-2-yl)phenoxy]acetyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide?
The IUPAC name of 2-[[2-[2-(1,3-dithiolan-2-yl)phenoxy]acetyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide (CID 24673621) is 2-[[2-[2-(1,3-dithiolan-2-yl)phenoxy]acetyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide.
What is the SMILES notation for 2-[[2-[2-(1,3-dithiolan-2-yl)phenoxy]acetyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide?
The canonical SMILES for 2-[[2-[2-(1,3-dithiolan-2-yl)phenoxy]acetyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide is COc1ccc(C)cc1NC(=O)CNC(=O)COc1ccccc1C1SCCS1.
What is the InChIKey of 2-[[2-[2-(1,3-dithiolan-2-yl)phenoxy]acetyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide?
The InChIKey is QXSVUVHOHOENHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4S2/c1-14-7-8-18(26-2)16(11-14)23-19(24)12-22-20(25)13-27-17-6-4-3-5-15(17)21-28-9-10-29-21/h3-8,11,21H,9-10,12-13H2,1-2H3,(H,22,25)(H,23,24).
What are the key properties of 2-[[2-[2-(1,3-dithiolan-2-yl)phenoxy]acetyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide?
2-[[2-[2-(1,3-dithiolan-2-yl)phenoxy]acetyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide has a molecular weight of 432.57 g/mol, XLogP of 3.62, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[2-(1,3-dithiolan-2-yl)phenoxy]acetyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide is sourced from PubChem (CID 24673621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).