2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(ethyl)amino]-N-ethylacetamide

C14H20N2O5S — CID 24678373

IUPAC2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(ethyl)amino]-N-ethylacetamide
SMILESCCNC(=O)CN(CC)S(=O)(=O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C14H20N2O5S/c1-3-15-14(17)10-16(4-2)22(18,19)11-5-6-12-13(9-11)21-8-7-20-12/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,15,17)
InChIKeyPOIXTUPNCZACII-UHFFFAOYSA-N
MW328.39 g/mol
LogP0.60
Rot. Bonds6

About 2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(ethyl)amino]-N-ethylacetamide

2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(ethyl)amino]-N-ethylacetamide (PubChem CID 24678373) has the molecular formula C14H20N2O5S and a molecular weight of 328.39 g/mol. Its IUPAC name is 2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(ethyl)amino]-N-ethylacetamide.

Molecular Properties

Compound Name2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(ethyl)amino]-N-ethylacetamide
PubChem CID24678373
Molecular FormulaC14H20N2O5S
Molecular Weight328.39 g/mol
Exact Mass328.11
IUPAC Name2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(ethyl)amino]-N-ethylacetamide
SMILESCCNC(=O)CN(CC)S(=O)(=O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C14H20N2O5S/c1-3-15-14(17)10-16(4-2)22(18,19)11-5-6-12-13(9-11)21-8-7-20-12/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,15,17)
InChIKeyPOIXTUPNCZACII-UHFFFAOYSA-N
XLogP0.60
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-diethyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 2866313
2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(ethyl)amino]-N'-hydroxyethanimidamide
CID 76929421
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[ethyl-(4-fluorophenyl)sulfonylamino]acetamide
CID 3163586
2-[(4-chlorophenyl)sulfonyl-ethylamino]-N-ethylacetamide
CID 4593539
2-[(2-chlorophenyl)methyl-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)amino]-N-propylacetamide
CID 26055318
2-[(3-aminophenyl)sulfonyl-ethylamino]-N-ethylacetamide
CID 61114463
N-[4-(diethylsulfamoyl)phenyl]-3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)propanamide
CID 3417972
N-[2-[4-(diethylsulfamoyl)phenyl]ethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 30125754
ethyl 4-[ethyl-[2-(ethylamino)-2-oxoethyl]sulfamoyl]benzoate
CID 24678382
N-ethyl-N-(pyridin-4-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 7938079
N-(2,5-dichlorophenyl)-2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(propyl)amino]acetamide
CID 2538512
2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(methyl)amino]acetic acid
CID 2893755

Frequently Asked Questions

What is the IUPAC name of 2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(ethyl)amino]-N-ethylacetamide?
The IUPAC name of 2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(ethyl)amino]-N-ethylacetamide (CID 24678373) is 2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(ethyl)amino]-N-ethylacetamide.
What is the SMILES notation for 2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(ethyl)amino]-N-ethylacetamide?
The canonical SMILES for 2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(ethyl)amino]-N-ethylacetamide is CCNC(=O)CN(CC)S(=O)(=O)c1ccc2c(c1)OCCO2.
What is the InChIKey of 2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(ethyl)amino]-N-ethylacetamide?
The InChIKey is POIXTUPNCZACII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O5S/c1-3-15-14(17)10-16(4-2)22(18,19)11-5-6-12-13(9-11)21-8-7-20-12/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,15,17).
What are the key properties of 2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(ethyl)amino]-N-ethylacetamide?
2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(ethyl)amino]-N-ethylacetamide has a molecular weight of 328.39 g/mol, XLogP of 0.60, 6 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-ylsulfonyl(ethyl)amino]-N-ethylacetamide is sourced from PubChem (CID 24678373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).