N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[ethyl-(4-fluorophenyl)sulfonylamino]acetamide

C18H19FN2O5S — CID 3163586

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[ethyl-(4-fluorophenyl)sulfonylamino]acetamide
SMILESCCN(CC(=O)Nc1ccc2c(c1)OCCO2)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C18H19FN2O5S/c1-2-21(27(23,24)15-6-3-13(19)4-7-15)12-18(22)20-14-5-8-16-17(11-14)26-10-9-25-16/h3-8,11H,2,9-10,12H2,1H3,(H,20,22)
InChIKeyAOMOKXXNAFSOIV-UHFFFAOYSA-N
MW394.42 g/mol
LogP2.25
Rot. Bonds6

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[ethyl-(4-fluorophenyl)sulfonylamino]acetamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[ethyl-(4-fluorophenyl)sulfonylamino]acetamide (PubChem CID 3163586) has the molecular formula C18H19FN2O5S and a molecular weight of 394.42 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[ethyl-(4-fluorophenyl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[ethyl-(4-fluorophenyl)sulfonylamino]acetamide
PubChem CID3163586
Molecular FormulaC18H19FN2O5S
Molecular Weight394.42 g/mol
Exact Mass394.10
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[ethyl-(4-fluorophenyl)sulfonylamino]acetamide
SMILESCCN(CC(=O)Nc1ccc2c(c1)OCCO2)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C18H19FN2O5S/c1-2-21(27(23,24)15-6-3-13(19)4-7-15)12-18(22)20-14-5-8-16-17(11-14)26-10-9-25-16/h3-8,11H,2,9-10,12H2,1H3,(H,20,22)
InChIKeyAOMOKXXNAFSOIV-UHFFFAOYSA-N
XLogP2.25
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.42
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzodioxol-5-yl)-2-[[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-(4-fluorophenyl)sulfonylamino]acetamide
CID 2355278
2-[ethyl-(4-fluorophenyl)sulfonylamino]-N-(3-fluorophenyl)acetamide
CID 45372456
N-(4-acetamidophenyl)-2-[ethyl-(4-fluorophenyl)sulfonylamino]acetamide
CID 2546752
2-[(3-chloro-2-fluorophenyl)sulfonyl-ethylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 39621377
2-[ethyl-(4-fluorophenyl)sulfonylamino]-N-(4-sulfamoylphenyl)acetamide
CID 45372361
2-[ethyl-(4-fluorophenyl)sulfonylamino]-N-(3-methylphenyl)acetamide
CID 45372341
2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(ethyl)amino]-N-ethylacetamide
CID 24678373
methyl 4-[[2-[ethyl-(4-fluorophenyl)sulfonylamino]acetyl]amino]benzoate
CID 2986721
N-(1,3-benzodioxol-5-yl)-2-[ethyl-(4-methoxy-3-methylphenyl)sulfonylamino]acetamide
CID 92645488
N-[4-(diethylsulfamoyl)phenyl]-3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)propanamide
CID 3417972
2-[ethyl-(4-fluorophenyl)sulfonylamino]-N-(5-fluoro-2-methylphenyl)acetamide
CID 28547972
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 2176046

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[ethyl-(4-fluorophenyl)sulfonylamino]acetamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[ethyl-(4-fluorophenyl)sulfonylamino]acetamide (CID 3163586) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[ethyl-(4-fluorophenyl)sulfonylamino]acetamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[ethyl-(4-fluorophenyl)sulfonylamino]acetamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[ethyl-(4-fluorophenyl)sulfonylamino]acetamide is CCN(CC(=O)Nc1ccc2c(c1)OCCO2)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[ethyl-(4-fluorophenyl)sulfonylamino]acetamide?
The InChIKey is AOMOKXXNAFSOIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O5S/c1-2-21(27(23,24)15-6-3-13(19)4-7-15)12-18(22)20-14-5-8-16-17(11-14)26-10-9-25-16/h3-8,11H,2,9-10,12H2,1H3,(H,20,22).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[ethyl-(4-fluorophenyl)sulfonylamino]acetamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[ethyl-(4-fluorophenyl)sulfonylamino]acetamide has a molecular weight of 394.42 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[ethyl-(4-fluorophenyl)sulfonylamino]acetamide is sourced from PubChem (CID 3163586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).