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

C18H19FN2O5S — CID 113059255

IUPACN-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)ethyl]-N-(2-fluorophenyl)acetamide
SMILESCC(=O)N(CCNS(=O)(=O)c1ccc2c(c1)OCCO2)c1ccccc1F
InChIInChI=1S/C18H19FN2O5S/c1-13(22)21(16-5-3-2-4-15(16)19)9-8-20-27(23,24)14-6-7-17-18(12-14)26-11-10-25-17/h2-7,12,20H,8-11H2,1H3
InChIKeyCYAIFDPEQRPFQX-UHFFFAOYSA-N
MW394.42 g/mol
LogP1.93
Rot. Bonds6

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

N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)ethyl]-N-(2-fluorophenyl)acetamide (PubChem CID 113059255) has the molecular formula C18H19FN2O5S and a molecular weight of 394.42 g/mol. Its IUPAC name is N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)ethyl]-N-(2-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)ethyl]-N-(2-fluorophenyl)acetamide
PubChem CID113059255
Molecular FormulaC18H19FN2O5S
Molecular Weight394.42 g/mol
Exact Mass394.10
IUPAC NameN-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)ethyl]-N-(2-fluorophenyl)acetamide
SMILESCC(=O)N(CCNS(=O)(=O)c1ccc2c(c1)OCCO2)c1ccccc1F
InChIInChI=1S/C18H19FN2O5S/c1-13(22)21(16-5-3-2-4-15(16)19)9-8-20-27(23,24)14-6-7-17-18(12-14)26-11-10-25-17/h2-7,12,20H,8-11H2,1H3
InChIKeyCYAIFDPEQRPFQX-UHFFFAOYSA-N
XLogP1.93
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 ≤ 51.93
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-propylacetamide
CID 113051933
N-(2-ethylphenyl)-N-[2-[(4-fluoro-3-methylphenyl)sulfonylamino]ethyl]acetamide
CID 113058367
N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)ethyl]-N-(furan-2-ylmethyl)acetamide
CID 113053957
N-[2-(dimethylamino)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide;hydrochloride
CID 90485725
N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)ethyl]-N-[3-(dimethylamino)propyl]acetamide
CID 113053833
N-(2,6-difluorophenyl)-N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]acetamide
CID 113064567
N-[2-(1,3-benzodioxol-5-ylsulfonylamino)ethyl]-N-(3-cyanophenyl)acetamide
CID 113064287
N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-N-(2-ethylphenyl)acetamide
CID 113058359
N-[3-(dimethylamino)propyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 5176418
N-[2-(1,3-benzodioxol-5-ylsulfonylamino)ethyl]-N-(2-methylpropyl)acetamide
CID 113052606
N-[2-(2-hydroxyphenyl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 110605313
N-(3-bromobutyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 113271819

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)ethyl]-N-(2-fluorophenyl)acetamide?
The IUPAC name of N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)ethyl]-N-(2-fluorophenyl)acetamide (CID 113059255) is N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)ethyl]-N-(2-fluorophenyl)acetamide.
What is the SMILES notation for N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)ethyl]-N-(2-fluorophenyl)acetamide?
The canonical SMILES for N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)ethyl]-N-(2-fluorophenyl)acetamide is CC(=O)N(CCNS(=O)(=O)c1ccc2c(c1)OCCO2)c1ccccc1F.
What is the InChIKey of N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)ethyl]-N-(2-fluorophenyl)acetamide?
The InChIKey is CYAIFDPEQRPFQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O5S/c1-13(22)21(16-5-3-2-4-15(16)19)9-8-20-27(23,24)14-6-7-17-18(12-14)26-11-10-25-17/h2-7,12,20H,8-11H2,1H3.
What are the key properties of N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)ethyl]-N-(2-fluorophenyl)acetamide?
N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)ethyl]-N-(2-fluorophenyl)acetamide has a molecular weight of 394.42 g/mol, XLogP of 1.93, 6 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-(2-fluorophenyl)acetamide is sourced from PubChem (CID 113059255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).