2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[2-(N-ethyl-2-methylanilino)ethyl]acetamide

C21H26N2O3S — CID 55717378

IUPAC2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[2-(N-ethyl-2-methylanilino)ethyl]acetamide
SMILESCCN(CCNC(=O)CSc1ccc2c(c1)OCCO2)c1ccccc1C
InChIInChI=1S/C21H26N2O3S/c1-3-23(18-7-5-4-6-16(18)2)11-10-22-21(24)15-27-17-8-9-19-20(14-17)26-13-12-25-19/h4-9,14H,3,10-13,15H2,1-2H3,(H,22,24)
InChIKeyZSWUEUNMAZTKRS-UHFFFAOYSA-N
MW386.52 g/mol
LogP3.50
Rot. Bonds8

About 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[2-(N-ethyl-2-methylanilino)ethyl]acetamide

2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[2-(N-ethyl-2-methylanilino)ethyl]acetamide (PubChem CID 55717378) has the molecular formula C21H26N2O3S and a molecular weight of 386.52 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[2-(N-ethyl-2-methylanilino)ethyl]acetamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[2-(N-ethyl-2-methylanilino)ethyl]acetamide
PubChem CID55717378
Molecular FormulaC21H26N2O3S
Molecular Weight386.52 g/mol
Exact Mass386.17
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[2-(N-ethyl-2-methylanilino)ethyl]acetamide
SMILESCCN(CCNC(=O)CSc1ccc2c(c1)OCCO2)c1ccccc1C
InChIInChI=1S/C21H26N2O3S/c1-3-23(18-7-5-4-6-16(18)2)11-10-22-21(24)15-27-17-8-9-19-20(14-17)26-13-12-25-19/h4-9,14H,3,10-13,15H2,1-2H3,(H,22,24)
InChIKeyZSWUEUNMAZTKRS-UHFFFAOYSA-N
XLogP3.50
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(N-ethyl-2-methylanilino)ethyl]-1,3-benzodioxole-5-carboxamide
CID 46478529
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-pentan-3-ylacetamide
CID 7457789
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-(methylcarbamoyl)acetamide
CID 7457809
N-(3-bromo-4-methylphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetamide
CID 7458065
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 2708596
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(propylcarbamoyl)acetamide
CID 7976626
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-(1,1-diphenylethyl)acetamide
CID 56522785
N-(4-bromo-2-methylphenyl)-2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]amino]acetamide
CID 2606649
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 30965683
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]acetamide
CID 166201690
N'-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]benzohydrazide
CID 2606684
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-(6-methyl-2-pyridinyl)acetamide
CID 18107184

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[2-(N-ethyl-2-methylanilino)ethyl]acetamide?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[2-(N-ethyl-2-methylanilino)ethyl]acetamide (CID 55717378) is 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[2-(N-ethyl-2-methylanilino)ethyl]acetamide.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[2-(N-ethyl-2-methylanilino)ethyl]acetamide?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[2-(N-ethyl-2-methylanilino)ethyl]acetamide is CCN(CCNC(=O)CSc1ccc2c(c1)OCCO2)c1ccccc1C.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[2-(N-ethyl-2-methylanilino)ethyl]acetamide?
The InChIKey is ZSWUEUNMAZTKRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3S/c1-3-23(18-7-5-4-6-16(18)2)11-10-22-21(24)15-27-17-8-9-19-20(14-17)26-13-12-25-19/h4-9,14H,3,10-13,15H2,1-2H3,(H,22,24).
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[2-(N-ethyl-2-methylanilino)ethyl]acetamide?
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[2-(N-ethyl-2-methylanilino)ethyl]acetamide has a molecular weight of 386.52 g/mol, XLogP of 3.50, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[2-(N-ethyl-2-methylanilino)ethyl]acetamide is sourced from PubChem (CID 55717378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).