N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)ethyl]-N-(furan-2-ylmethyl)acetamide

C17H20N2O6S — CID 113053957

IUPACN-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)ethyl]-N-(furan-2-ylmethyl)acetamide
SMILESCC(=O)N(CCNS(=O)(=O)c1ccc2c(c1)OCCO2)Cc1ccco1
InChIInChI=1S/C17H20N2O6S/c1-13(20)19(12-14-3-2-8-23-14)7-6-18-26(21,22)15-4-5-16-17(11-15)25-10-9-24-16/h2-5,8,11,18H,6-7,9-10,12H2,1H3
InChIKeyMVKJYJSHTJYAPI-UHFFFAOYSA-N
MW380.42 g/mol
LogP1.38
Rot. Bonds7

About N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)ethyl]-N-(furan-2-ylmethyl)acetamide

N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)ethyl]-N-(furan-2-ylmethyl)acetamide (PubChem CID 113053957) has the molecular formula C17H20N2O6S and a molecular weight of 380.42 g/mol. Its IUPAC name is N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)ethyl]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)ethyl]-N-(furan-2-ylmethyl)acetamide
PubChem CID113053957
Molecular FormulaC17H20N2O6S
Molecular Weight380.42 g/mol
Exact Mass380.10
IUPAC NameN-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)ethyl]-N-(furan-2-ylmethyl)acetamide
SMILESCC(=O)N(CCNS(=O)(=O)c1ccc2c(c1)OCCO2)Cc1ccco1
InChIInChI=1S/C17H20N2O6S/c1-13(20)19(12-14-3-2-8-23-14)7-6-18-26(21,22)15-4-5-16-17(11-15)25-10-9-24-16/h2-5,8,11,18H,6-7,9-10,12H2,1H3
InChIKeyMVKJYJSHTJYAPI-UHFFFAOYSA-N
XLogP1.38
TPSA98.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)ethyl]-N-propylacetamide
CID 113051933
N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)ethyl]-N-[3-(dimethylamino)propyl]acetamide
CID 113053833
N-(furan-2-ylmethyl)-N-[2-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonylamino]ethyl]acetamide
CID 113053971
N-[2-(1,3-benzodioxol-5-ylsulfonylamino)ethyl]-N-(2-methylpropyl)acetamide
CID 113052606
N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)ethyl]-N-(2-fluorophenyl)acetamide
CID 113059255
N-[2-(dimethylamino)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide;hydrochloride
CID 90485725
N-[2-(2-methylprop-2-enoxy)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 115698833
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-methylacetamide
CID 9302237
N-[3-(dimethylamino)propyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 5176418
N-[2-(furan-2-ylmethylsulfamoyl)ethyl]-1,3-benzodioxole-5-sulfonamide
CID 110345927
N-(3-bromobutyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 113271819
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[3-(dimethylamino)propyl]acetamide
CID 112991633

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)ethyl]-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)ethyl]-N-(furan-2-ylmethyl)acetamide (CID 113053957) is N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)ethyl]-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)ethyl]-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)ethyl]-N-(furan-2-ylmethyl)acetamide is CC(=O)N(CCNS(=O)(=O)c1ccc2c(c1)OCCO2)Cc1ccco1.
What is the InChIKey of N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)ethyl]-N-(furan-2-ylmethyl)acetamide?
The InChIKey is MVKJYJSHTJYAPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O6S/c1-13(20)19(12-14-3-2-8-23-14)7-6-18-26(21,22)15-4-5-16-17(11-15)25-10-9-24-16/h2-5,8,11,18H,6-7,9-10,12H2,1H3.
What are the key properties of N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)ethyl]-N-(furan-2-ylmethyl)acetamide?
N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)ethyl]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 380.42 g/mol, XLogP of 1.38, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)ethyl]-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 113053957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).