N-[2-(1,3-benzodioxol-5-ylsulfonylamino)ethyl]-N-(3-cyanophenyl)acetamide

C18H17N3O5S — CID 113064287

IUPACN-[2-(1,3-benzodioxol-5-ylsulfonylamino)ethyl]-N-(3-cyanophenyl)acetamide
SMILESCC(=O)N(CCNS(=O)(=O)c1ccc2c(c1)OCO2)c1cccc(C#N)c1
InChIInChI=1S/C18H17N3O5S/c1-13(22)21(15-4-2-3-14(9-15)11-19)8-7-20-27(23,24)16-5-6-17-18(10-16)26-12-25-17/h2-6,9-10,20H,7-8,12H2,1H3
InChIKeyFKBHLCVHCWATPB-UHFFFAOYSA-N
MW387.42 g/mol
LogP1.62
Rot. Bonds6

About N-[2-(1,3-benzodioxol-5-ylsulfonylamino)ethyl]-N-(3-cyanophenyl)acetamide

N-[2-(1,3-benzodioxol-5-ylsulfonylamino)ethyl]-N-(3-cyanophenyl)acetamide (PubChem CID 113064287) has the molecular formula C18H17N3O5S and a molecular weight of 387.42 g/mol. Its IUPAC name is N-[2-(1,3-benzodioxol-5-ylsulfonylamino)ethyl]-N-(3-cyanophenyl)acetamide.

Molecular Properties

Compound NameN-[2-(1,3-benzodioxol-5-ylsulfonylamino)ethyl]-N-(3-cyanophenyl)acetamide
PubChem CID113064287
Molecular FormulaC18H17N3O5S
Molecular Weight387.42 g/mol
Exact Mass387.09
IUPAC NameN-[2-(1,3-benzodioxol-5-ylsulfonylamino)ethyl]-N-(3-cyanophenyl)acetamide
SMILESCC(=O)N(CCNS(=O)(=O)c1ccc2c(c1)OCO2)c1cccc(C#N)c1
InChIInChI=1S/C18H17N3O5S/c1-13(22)21(15-4-2-3-14(9-15)11-19)8-7-20-27(23,24)16-5-6-17-18(10-16)26-12-25-17/h2-6,9-10,20H,7-8,12H2,1H3
InChIKeyFKBHLCVHCWATPB-UHFFFAOYSA-N
XLogP1.62
TPSA108.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.42
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-cyanophenyl)-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]acetamide
CID 113064274
N-(3-cyanophenyl)-N-[2-(dimethylsulfamoylamino)ethyl]acetamide
CID 113064269
N-[2-(1,3-benzodioxol-5-ylsulfonylamino)ethyl]-N-(2-methylpropyl)acetamide
CID 113052606
N-(1,3-benzodioxol-5-yl)-N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]acetamide
CID 113063010
N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)ethyl]-N-(2-fluorophenyl)acetamide
CID 113059255
N-(4-cyanophenyl)-N-[2-[(2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]ethyl]acetamide
CID 113064406
N-(3-acetylphenyl)-N-[2-[(4-fluorophenyl)sulfonylamino]ethyl]acetamide
CID 113061610
N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)ethyl]-N-propylacetamide
CID 113051933
N-[2-[methyl(phenyl)sulfamoyl]ethyl]-1,3-benzodioxole-5-sulfonamide
CID 110287737
N-[2-[(4-bromophenyl)sulfonylamino]ethyl]-N-phenylacetamide
CID 113057237
N-[2-(N-acetyl-3-cyanoanilino)ethyl]-3-phenylpropanamide
CID 113064234
N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)ethyl]-N-(furan-2-ylmethyl)acetamide
CID 113053957

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzodioxol-5-ylsulfonylamino)ethyl]-N-(3-cyanophenyl)acetamide?
The IUPAC name of N-[2-(1,3-benzodioxol-5-ylsulfonylamino)ethyl]-N-(3-cyanophenyl)acetamide (CID 113064287) is N-[2-(1,3-benzodioxol-5-ylsulfonylamino)ethyl]-N-(3-cyanophenyl)acetamide.
What is the SMILES notation for N-[2-(1,3-benzodioxol-5-ylsulfonylamino)ethyl]-N-(3-cyanophenyl)acetamide?
The canonical SMILES for N-[2-(1,3-benzodioxol-5-ylsulfonylamino)ethyl]-N-(3-cyanophenyl)acetamide is CC(=O)N(CCNS(=O)(=O)c1ccc2c(c1)OCO2)c1cccc(C#N)c1.
What is the InChIKey of N-[2-(1,3-benzodioxol-5-ylsulfonylamino)ethyl]-N-(3-cyanophenyl)acetamide?
The InChIKey is FKBHLCVHCWATPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O5S/c1-13(22)21(15-4-2-3-14(9-15)11-19)8-7-20-27(23,24)16-5-6-17-18(10-16)26-12-25-17/h2-6,9-10,20H,7-8,12H2,1H3.
What are the key properties of N-[2-(1,3-benzodioxol-5-ylsulfonylamino)ethyl]-N-(3-cyanophenyl)acetamide?
N-[2-(1,3-benzodioxol-5-ylsulfonylamino)ethyl]-N-(3-cyanophenyl)acetamide has a molecular weight of 387.42 g/mol, XLogP of 1.62, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzodioxol-5-ylsulfonylamino)ethyl]-N-(3-cyanophenyl)acetamide is sourced from PubChem (CID 113064287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).