2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]-methylamino]-N-(4-methoxyphenyl)acetamide

C20H22N2O5S — CID 9438296

IUPAC2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]-methylamino]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN(C)C(=O)CSc2ccc3c(c2)OCCO3)cc1
InChIInChI=1S/C20H22N2O5S/c1-22(12-19(23)21-14-3-5-15(25-2)6-4-14)20(24)13-28-16-7-8-17-18(11-16)27-10-9-26-17/h3-8,11H,9-10,12-13H2,1-2H3,(H,21,23)
InChIKeyDZYAHHAEZIVHEI-UHFFFAOYSA-N
MW402.47 g/mol
LogP2.66
Rot. Bonds7

About 2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]-methylamino]-N-(4-methoxyphenyl)acetamide

2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]-methylamino]-N-(4-methoxyphenyl)acetamide (PubChem CID 9438296) has the molecular formula C20H22N2O5S and a molecular weight of 402.47 g/mol. Its IUPAC name is 2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]-methylamino]-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]-methylamino]-N-(4-methoxyphenyl)acetamide
PubChem CID9438296
Molecular FormulaC20H22N2O5S
Molecular Weight402.47 g/mol
Exact Mass402.12
IUPAC Name2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]-methylamino]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN(C)C(=O)CSc2ccc3c(c2)OCCO3)cc1
InChIInChI=1S/C20H22N2O5S/c1-22(12-19(23)21-14-3-5-15(25-2)6-4-14)20(24)13-28-16-7-8-17-18(11-16)27-10-9-26-17/h3-8,11H,9-10,12-13H2,1-2H3,(H,21,23)
InChIKeyDZYAHHAEZIVHEI-UHFFFAOYSA-N
XLogP2.66
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.47
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]-methylamino]-N-(4-methoxyphenyl)acetamide with MolForge

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Related Compounds

2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-methyl-N-phenylacetamide
CID 2086772
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-(4-methoxyphenyl)acetamide
CID 2089406
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenylsulfanylacetamide
CID 2121892
2-(2,6-dimethyl-3,5-dioxothiomorpholin-4-yl)-N-(4-ethoxyphenyl)acetamide
CID 4620189
N-(4-ethoxyphenyl)-2-(2-methyl-3,5-dioxothiomorpholin-4-yl)acetamide
CID 4983381
N-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-2-(3-oxo-2,3-dihydro-benzo[1,4]thiazin-4-yl)-acetamide
CID 645878
N~1~-(2,3-dihydro-1,4-benzodioxin-6-yl)-N~2~-[(3,4-dimethoxyphenyl)sulfonyl]-N~2~-methylglycinamide
CID 1085423
2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methoxyanilino)-N-(4-methoxyphenyl)acetamide
CID 1123807
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[(3,4-dimethoxyphenyl)sulfonyl]amino}acetamide
CID 1750391
2-[(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-fluoroanilino]-N-propylacetamide
CID 1796009
N-(2-cyanoethyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-(4-methylphenyl)acetamide
CID 2086786
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(2-methylsulfanylphenyl)acetamide
CID 2107485

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]-methylamino]-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]-methylamino]-N-(4-methoxyphenyl)acetamide (CID 9438296) is 2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]-methylamino]-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]-methylamino]-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]-methylamino]-N-(4-methoxyphenyl)acetamide is COc1ccc(NC(=O)CN(C)C(=O)CSc2ccc3c(c2)OCCO3)cc1.
What is the InChIKey of 2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]-methylamino]-N-(4-methoxyphenyl)acetamide?
The InChIKey is DZYAHHAEZIVHEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O5S/c1-22(12-19(23)21-14-3-5-15(25-2)6-4-14)20(24)13-28-16-7-8-17-18(11-16)27-10-9-26-17/h3-8,11H,9-10,12-13H2,1-2H3,(H,21,23).
What are the key properties of 2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]-methylamino]-N-(4-methoxyphenyl)acetamide?
2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]-methylamino]-N-(4-methoxyphenyl)acetamide has a molecular weight of 402.47 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]-methylamino]-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 9438296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).