N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-ethoxy-N-methylsulfonylanilino)acetamide

C19H22N2O6S — CID 654373

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-ethoxy-N-methylsulfonylanilino)acetamide
SMILESCCOc1ccccc1N(CC(=O)Nc1ccc2c(c1)OCCO2)S(C)(=O)=O
InChIInChI=1S/C19H22N2O6S/c1-3-25-16-7-5-4-6-15(16)21(28(2,23)24)13-19(22)20-14-8-9-17-18(12-14)27-11-10-26-17/h4-9,12H,3,10-11,13H2,1-2H3,(H,20,22)
InChIKeyDLDZIVLYVOTHGK-UHFFFAOYSA-N
MW406.46 g/mol
LogP2.26
Rot. Bonds7

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-ethoxy-N-methylsulfonylanilino)acetamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-ethoxy-N-methylsulfonylanilino)acetamide (PubChem CID 654373) has the molecular formula C19H22N2O6S and a molecular weight of 406.46 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-ethoxy-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-ethoxy-N-methylsulfonylanilino)acetamide
PubChem CID654373
Molecular FormulaC19H22N2O6S
Molecular Weight406.46 g/mol
Exact Mass406.12
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-ethoxy-N-methylsulfonylanilino)acetamide
SMILESCCOc1ccccc1N(CC(=O)Nc1ccc2c(c1)OCCO2)S(C)(=O)=O
InChIInChI=1S/C19H22N2O6S/c1-3-25-16-7-5-4-6-15(16)21(28(2,23)24)13-19(22)20-14-8-9-17-18(12-14)27-11-10-26-17/h4-9,12H,3,10-11,13H2,1-2H3,(H,20,22)
InChIKeyDLDZIVLYVOTHGK-UHFFFAOYSA-N
XLogP2.26
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methoxyphenoxy)acetamide
CID 868039
N-(2H,3H-benzo[3,4-e]1,4-dioxin-6-yl)-N'-(2-phenylethyl)ethane-1,2-diamide
CID 3154023
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-ethylpiperidin-1-yl)acetamide
CID 3365341
2-[3-(azepan-1-ylsulfonyl)anilino]-N-(3,4-diethoxyphenyl)acetamide
CID 4784017
N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 4875126
2-(3,4-dimethoxyanilino)-N-(3-morpholin-4-ylsulfonylphenyl)propanamide
CID 5078319
N-Cyclopropyl-N'-(2,3-dihydro-benzo[1,4]dioxin-6-yl)-oxalamide
CID 7584944
[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] (2S)-2-[(2-fluorophenyl)sulfonylamino]propanoate
CID 16247877
N-(tert-Butylcarbamoyl-methyl)-N-cyclopropyl-N'-(2,3-dihydro-benzo[1,4]dioxin-6-yl)-oxalamide
CID 24792459
N-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-2-[methanesulfonyl-(2-methoxy-phenyl)-amino]-acetamide
CID 655700
2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-(1,3-benzodioxol-5-yl)acetamide
CID 2279484
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N'-(2-methoxyphenyl)oxamide
CID 2906224

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-ethoxy-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-ethoxy-N-methylsulfonylanilino)acetamide (CID 654373) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-ethoxy-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-ethoxy-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-ethoxy-N-methylsulfonylanilino)acetamide is CCOc1ccccc1N(CC(=O)Nc1ccc2c(c1)OCCO2)S(C)(=O)=O.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-ethoxy-N-methylsulfonylanilino)acetamide?
The InChIKey is DLDZIVLYVOTHGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O6S/c1-3-25-16-7-5-4-6-15(16)21(28(2,23)24)13-19(22)20-14-8-9-17-18(12-14)27-11-10-26-17/h4-9,12H,3,10-11,13H2,1-2H3,(H,20,22).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-ethoxy-N-methylsulfonylanilino)acetamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-ethoxy-N-methylsulfonylanilino)acetamide has a molecular weight of 406.46 g/mol, XLogP of 2.26, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-ethoxy-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 654373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).