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

C15H22N2O5S — CID 113051933

IUPACN-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)ethyl]-N-propylacetamide
SMILESCCCN(CCNS(=O)(=O)c1ccc2c(c1)OCCO2)C(C)=O
InChIInChI=1S/C15H22N2O5S/c1-3-7-17(12(2)18)8-6-16-23(19,20)13-4-5-14-15(11-13)22-10-9-21-14/h4-5,11,16H,3,6-10H2,1-2H3
InChIKeyQLDMVTRYSYRWGD-UHFFFAOYSA-N
MW342.42 g/mol
LogP0.99
Rot. Bonds7

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

N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)ethyl]-N-propylacetamide (PubChem CID 113051933) has the molecular formula C15H22N2O5S and a molecular weight of 342.42 g/mol. Its IUPAC name is N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)ethyl]-N-propylacetamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)ethyl]-N-propylacetamide
PubChem CID113051933
Molecular FormulaC15H22N2O5S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC NameN-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)ethyl]-N-propylacetamide
SMILESCCCN(CCNS(=O)(=O)c1ccc2c(c1)OCCO2)C(C)=O
InChIInChI=1S/C15H22N2O5S/c1-3-7-17(12(2)18)8-6-16-23(19,20)13-4-5-14-15(11-13)22-10-9-21-14/h4-5,11,16H,3,6-10H2,1-2H3
InChIKeyQLDMVTRYSYRWGD-UHFFFAOYSA-N
XLogP0.99
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)ethyl]-N-[3-(dimethylamino)propyl]acetamide
CID 113053833
N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)ethyl]-N-(furan-2-ylmethyl)acetamide
CID 113053957
N-[2-(1,3-benzodioxol-5-ylsulfonylamino)ethyl]-N-(2-methylpropyl)acetamide
CID 113052606
N-[2-(dimethylamino)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide;hydrochloride
CID 90485725
N-[2-[(4-tert-butylphenyl)sulfonylamino]ethyl]-N-propylacetamide
CID 113051954
N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)ethyl]-N-(2-fluorophenyl)acetamide
CID 113059255
N-[2-(2-methylprop-2-enoxy)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 115698833
N-[3-(dimethylamino)propyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 5176418
N-[2-(ethylamino)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide;hydrochloride
CID 119973711
N-(3-bromobutyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 113271819
ethyl 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)butanoate
CID 43008756
N-[3-(dimethylamino)propyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
CID 8716732

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)ethyl]-N-propylacetamide?
The IUPAC name of N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)ethyl]-N-propylacetamide (CID 113051933) is N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)ethyl]-N-propylacetamide.
What is the SMILES notation for N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)ethyl]-N-propylacetamide?
The canonical SMILES for N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)ethyl]-N-propylacetamide is CCCN(CCNS(=O)(=O)c1ccc2c(c1)OCCO2)C(C)=O.
What is the InChIKey of N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)ethyl]-N-propylacetamide?
The InChIKey is QLDMVTRYSYRWGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O5S/c1-3-7-17(12(2)18)8-6-16-23(19,20)13-4-5-14-15(11-13)22-10-9-21-14/h4-5,11,16H,3,6-10H2,1-2H3.
What are the key properties of N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)ethyl]-N-propylacetamide?
N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)ethyl]-N-propylacetamide has a molecular weight of 342.42 g/mol, XLogP of 0.99, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)ethyl]-N-propylacetamide is sourced from PubChem (CID 113051933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).