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

C21H25NO4S2 — CID 24581970

IUPAC2-[4-(1,3-dithiolan-2-yl)-2-methoxyphenoxy]-N-(2-propoxyphenyl)acetamide
SMILESCCCOc1ccccc1NC(=O)COc1ccc(C2SCCS2)cc1OC
InChIInChI=1S/C21H25NO4S2/c1-3-10-25-17-7-5-4-6-16(17)22-20(23)14-26-18-9-8-15(13-19(18)24-2)21-27-11-12-28-21/h4-9,13,21H,3,10-12,14H2,1-2H3,(H,22,23)
InChIKeySPHLFKHZCDVKGL-UHFFFAOYSA-N
MW419.57 g/mol
LogP4.98
Rot. Bonds9

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

2-[4-(1,3-dithiolan-2-yl)-2-methoxyphenoxy]-N-(2-propoxyphenyl)acetamide (PubChem CID 24581970) has the molecular formula C21H25NO4S2 and a molecular weight of 419.57 g/mol. Its IUPAC name is 2-[4-(1,3-dithiolan-2-yl)-2-methoxyphenoxy]-N-(2-propoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(1,3-dithiolan-2-yl)-2-methoxyphenoxy]-N-(2-propoxyphenyl)acetamide
PubChem CID24581970
Molecular FormulaC21H25NO4S2
Molecular Weight419.57 g/mol
Exact Mass419.12
IUPAC Name2-[4-(1,3-dithiolan-2-yl)-2-methoxyphenoxy]-N-(2-propoxyphenyl)acetamide
SMILESCCCOc1ccccc1NC(=O)COc1ccc(C2SCCS2)cc1OC
InChIInChI=1S/C21H25NO4S2/c1-3-10-25-17-7-5-4-6-16(17)22-20(23)14-26-18-9-8-15(13-19(18)24-2)21-27-11-12-28-21/h4-9,13,21H,3,10-12,14H2,1-2H3,(H,22,23)
InChIKeySPHLFKHZCDVKGL-UHFFFAOYSA-N
XLogP4.98
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.57
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-methoxy-4-[2-oxo-2-(2-propoxyanilino)ethoxy]benzoate
CID 24571020
2-[4-(1,3-dithiolan-2-yl)phenoxy]-N-(2-methoxyphenyl)acetamide
CID 17397411
N-(4,5-dimethoxy-2-methylphenyl)-2-(2-propoxyphenoxy)acetamide
CID 7751061
2-[4-(1,3-dithiolan-2-yl)-2-methoxyphenoxy]-N-(2-methylpropyl)acetamide
CID 7706642
N-(3-cyanophenyl)-2-[4-(1,3-dithiolan-2-yl)-2-methoxyphenoxy]acetamide
CID 7706398
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(1,3-dithiolan-2-yl)-2-methoxyphenoxy]acetamide
CID 7706594
N-(2-ethoxyphenyl)-2-(2-methoxyphenoxy)acetamide
CID 3891399
2-[4-(1,3-dithiolan-2-yl)-2-methoxyphenoxy]-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 9371764
N-[2-[2-(diethylamino)ethoxy]phenyl]-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide
CID 55528270
N-(2-ethylphenyl)-2-(2-propoxyphenoxy)acetamide
CID 7750885
2-(2-methoxyphenoxy)-N-[2-(2-phenoxyethoxy)phenyl]acetamide
CID 17130870
butyl 3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzoate
CID 18289886

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,3-dithiolan-2-yl)-2-methoxyphenoxy]-N-(2-propoxyphenyl)acetamide?
The IUPAC name of 2-[4-(1,3-dithiolan-2-yl)-2-methoxyphenoxy]-N-(2-propoxyphenyl)acetamide (CID 24581970) is 2-[4-(1,3-dithiolan-2-yl)-2-methoxyphenoxy]-N-(2-propoxyphenyl)acetamide.
What is the SMILES notation for 2-[4-(1,3-dithiolan-2-yl)-2-methoxyphenoxy]-N-(2-propoxyphenyl)acetamide?
The canonical SMILES for 2-[4-(1,3-dithiolan-2-yl)-2-methoxyphenoxy]-N-(2-propoxyphenyl)acetamide is CCCOc1ccccc1NC(=O)COc1ccc(C2SCCS2)cc1OC.
What is the InChIKey of 2-[4-(1,3-dithiolan-2-yl)-2-methoxyphenoxy]-N-(2-propoxyphenyl)acetamide?
The InChIKey is SPHLFKHZCDVKGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO4S2/c1-3-10-25-17-7-5-4-6-16(17)22-20(23)14-26-18-9-8-15(13-19(18)24-2)21-27-11-12-28-21/h4-9,13,21H,3,10-12,14H2,1-2H3,(H,22,23).
What are the key properties of 2-[4-(1,3-dithiolan-2-yl)-2-methoxyphenoxy]-N-(2-propoxyphenyl)acetamide?
2-[4-(1,3-dithiolan-2-yl)-2-methoxyphenoxy]-N-(2-propoxyphenyl)acetamide has a molecular weight of 419.57 g/mol, XLogP of 4.98, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,3-dithiolan-2-yl)-2-methoxyphenoxy]-N-(2-propoxyphenyl)acetamide is sourced from PubChem (CID 24581970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).