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

C18H20N2O6S — CID 655700

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methoxy-N-methylsulfonylanilino)acetamide
SMILESCOc1ccccc1N(CC(=O)Nc1ccc2c(c1)OCCO2)S(C)(=O)=O
InChIInChI=1S/C18H20N2O6S/c1-24-15-6-4-3-5-14(15)20(27(2,22)23)12-18(21)19-13-7-8-16-17(11-13)26-10-9-25-16/h3-8,11H,9-10,12H2,1-2H3,(H,19,21)
InChIKeyZJJFUJQRGJQWQW-UHFFFAOYSA-N
MW392.43 g/mol
LogP1.87
Rot. Bonds6

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

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methoxy-N-methylsulfonylanilino)acetamide (PubChem CID 655700) has the molecular formula C18H20N2O6S and a molecular weight of 392.43 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methoxy-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methoxy-N-methylsulfonylanilino)acetamide
PubChem CID655700
Molecular FormulaC18H20N2O6S
Molecular Weight392.43 g/mol
Exact Mass392.10
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methoxy-N-methylsulfonylanilino)acetamide
SMILESCOc1ccccc1N(CC(=O)Nc1ccc2c(c1)OCCO2)S(C)(=O)=O
InChIInChI=1S/C18H20N2O6S/c1-24-15-6-4-3-5-14(15)20(27(2,22)23)12-18(21)19-13-7-8-16-17(11-13)26-10-9-25-16/h3-8,11H,9-10,12H2,1-2H3,(H,19,21)
InChIKeyZJJFUJQRGJQWQW-UHFFFAOYSA-N
XLogP1.87
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 51.87
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
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
1-(4-acetamidophenyl)sulfonyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine-2-carboxamide
CID 3164173

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methoxy-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methoxy-N-methylsulfonylanilino)acetamide (CID 655700) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methoxy-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methoxy-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methoxy-N-methylsulfonylanilino)acetamide is COc1ccccc1N(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-methoxy-N-methylsulfonylanilino)acetamide?
The InChIKey is ZJJFUJQRGJQWQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O6S/c1-24-15-6-4-3-5-14(15)20(27(2,22)23)12-18(21)19-13-7-8-16-17(11-13)26-10-9-25-16/h3-8,11H,9-10,12H2,1-2H3,(H,19,21).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methoxy-N-methylsulfonylanilino)acetamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methoxy-N-methylsulfonylanilino)acetamide has a molecular weight of 392.43 g/mol, XLogP of 1.87, 6 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-methoxy-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 655700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).