2-[4-(1,3-dithiolan-2-yl)-2-methoxyphenoxy]-N-(2-methylpropyl)acetamide

C16H23NO3S2 — CID 7706642

IUPAC2-[4-(1,3-dithiolan-2-yl)-2-methoxyphenoxy]-N-(2-methylpropyl)acetamide
SMILESCOc1cc(C2SCCS2)ccc1OCC(=O)NCC(C)C
InChIInChI=1S/C16H23NO3S2/c1-11(2)9-17-15(18)10-20-13-5-4-12(8-14(13)19-3)16-21-6-7-22-16/h4-5,8,11,16H,6-7,9-10H2,1-3H3,(H,17,18)
InChIKeyPXMMKDUTTFUOKQ-UHFFFAOYSA-N
MW341.50 g/mol
LogP3.32
Rot. Bonds7

About 2-[4-(1,3-dithiolan-2-yl)-2-methoxyphenoxy]-N-(2-methylpropyl)acetamide

2-[4-(1,3-dithiolan-2-yl)-2-methoxyphenoxy]-N-(2-methylpropyl)acetamide (PubChem CID 7706642) has the molecular formula C16H23NO3S2 and a molecular weight of 341.50 g/mol. Its IUPAC name is 2-[4-(1,3-dithiolan-2-yl)-2-methoxyphenoxy]-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[4-(1,3-dithiolan-2-yl)-2-methoxyphenoxy]-N-(2-methylpropyl)acetamide
PubChem CID7706642
Molecular FormulaC16H23NO3S2
Molecular Weight341.50 g/mol
Exact Mass341.11
IUPAC Name2-[4-(1,3-dithiolan-2-yl)-2-methoxyphenoxy]-N-(2-methylpropyl)acetamide
SMILESCOc1cc(C2SCCS2)ccc1OCC(=O)NCC(C)C
InChIInChI=1S/C16H23NO3S2/c1-11(2)9-17-15(18)10-20-13-5-4-12(8-14(13)19-3)16-21-6-7-22-16/h4-5,8,11,16H,6-7,9-10H2,1-3H3,(H,17,18)
InChIKeyPXMMKDUTTFUOKQ-UHFFFAOYSA-N
XLogP3.32
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.50
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-(1,3-dithiolan-2-yl)-2-methoxyphenoxy]-N-(2-methylpropyl)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-[4-(1,3-dithiolan-2-yl)-2-methoxyphenoxy]-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 9371764
2-[4-(1-aminoethyl)-2-methoxyphenoxy]-N-(2-methylpropyl)acetamide
CID 16783572
2-(4-cyano-2-methoxyphenoxy)-N-(2-methylpropyl)acetamide
CID 2559188
2-[4-(1,3-dithiolan-2-yl)-2-methoxyphenoxy]-N-(2-propoxyphenyl)acetamide
CID 24581970
methyl 4-[[4-(1,3-dithiolan-2-yl)-2-methoxyphenoxy]methyl]benzoate
CID 7706301
N-(3-cyanophenyl)-2-[4-(1,3-dithiolan-2-yl)-2-methoxyphenoxy]acetamide
CID 7706398
2-[2-methoxy-5-(methylaminomethyl)phenoxy]-N-(2-methylpropyl)acetamide
CID 43278737
2-[[2-(2-methoxyphenoxy)acetyl]amino]-N-(2-methylpropyl)acetamide
CID 49167933
[4-(1,3-dithiolan-2-yl)-2-methoxyphenyl] 2-(4-chloro-2,6-dimethylphenoxy)acetate
CID 16561334
methyl 5-[2-[4-(1,3-dithiolan-2-yl)-2-methoxyphenoxy]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 26216165
2-[2-[(1R)-1-hydroxyethyl]-4-methylphenoxy]-N-(2-methylpropyl)acetamide
CID 63365039
N-(2-hydroxy-4-methylpentyl)-2-(2-methoxyphenoxy)acetamide
CID 103770844

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,3-dithiolan-2-yl)-2-methoxyphenoxy]-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-[4-(1,3-dithiolan-2-yl)-2-methoxyphenoxy]-N-(2-methylpropyl)acetamide (CID 7706642) is 2-[4-(1,3-dithiolan-2-yl)-2-methoxyphenoxy]-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[4-(1,3-dithiolan-2-yl)-2-methoxyphenoxy]-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-[4-(1,3-dithiolan-2-yl)-2-methoxyphenoxy]-N-(2-methylpropyl)acetamide is COc1cc(C2SCCS2)ccc1OCC(=O)NCC(C)C.
What is the InChIKey of 2-[4-(1,3-dithiolan-2-yl)-2-methoxyphenoxy]-N-(2-methylpropyl)acetamide?
The InChIKey is PXMMKDUTTFUOKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3S2/c1-11(2)9-17-15(18)10-20-13-5-4-12(8-14(13)19-3)16-21-6-7-22-16/h4-5,8,11,16H,6-7,9-10H2,1-3H3,(H,17,18).
What are the key properties of 2-[4-(1,3-dithiolan-2-yl)-2-methoxyphenoxy]-N-(2-methylpropyl)acetamide?
2-[4-(1,3-dithiolan-2-yl)-2-methoxyphenoxy]-N-(2-methylpropyl)acetamide has a molecular weight of 341.50 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,3-dithiolan-2-yl)-2-methoxyphenoxy]-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 7706642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).