N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[methyl(quinolin-8-ylsulfonyl)amino]acetamide

C20H19N3O5S — CID 5308667

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[methyl(quinolin-8-ylsulfonyl)amino]acetamide
SMILESCN(CC(=O)Nc1ccc2c(c1)OCCO2)S(=O)(=O)c1cccc2cccnc12
InChIInChI=1S/C20H19N3O5S/c1-23(29(25,26)18-6-2-4-14-5-3-9-21-20(14)18)13-19(24)22-15-7-8-16-17(12-15)28-11-10-27-16/h2-9,12H,10-11,13H2,1H3,(H,22,24)
InChIKeyDBRRWVXIIAPGQY-UHFFFAOYSA-N
MW413.46 g/mol
LogP2.27
Rot. Bonds5

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[methyl(quinolin-8-ylsulfonyl)amino]acetamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[methyl(quinolin-8-ylsulfonyl)amino]acetamide (PubChem CID 5308667) has the molecular formula C20H19N3O5S and a molecular weight of 413.46 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[methyl(quinolin-8-ylsulfonyl)amino]acetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[methyl(quinolin-8-ylsulfonyl)amino]acetamide
PubChem CID5308667
Molecular FormulaC20H19N3O5S
Molecular Weight413.46 g/mol
Exact Mass413.10
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[methyl(quinolin-8-ylsulfonyl)amino]acetamide
SMILESCN(CC(=O)Nc1ccc2c(c1)OCCO2)S(=O)(=O)c1cccc2cccnc12
InChIInChI=1S/C20H19N3O5S/c1-23(29(25,26)18-6-2-4-14-5-3-9-21-20(14)18)13-19(24)22-15-7-8-16-17(12-15)28-11-10-27-16/h2-9,12H,10-11,13H2,1H3,(H,22,24)
InChIKeyDBRRWVXIIAPGQY-UHFFFAOYSA-N
XLogP2.27
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.46
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[methyl(quinolin-8-ylsulfonyl)amino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[methyl(quinolin-8-ylsulfonyl)amino]acetamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[methyl(quinolin-8-ylsulfonyl)amino]acetamide (CID 5308667) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[methyl(quinolin-8-ylsulfonyl)amino]acetamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[methyl(quinolin-8-ylsulfonyl)amino]acetamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[methyl(quinolin-8-ylsulfonyl)amino]acetamide is CN(CC(=O)Nc1ccc2c(c1)OCCO2)S(=O)(=O)c1cccc2cccnc12.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[methyl(quinolin-8-ylsulfonyl)amino]acetamide?
The InChIKey is DBRRWVXIIAPGQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O5S/c1-23(29(25,26)18-6-2-4-14-5-3-9-21-20(14)18)13-19(24)22-15-7-8-16-17(12-15)28-11-10-27-16/h2-9,12H,10-11,13H2,1H3,(H,22,24).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[methyl(quinolin-8-ylsulfonyl)amino]acetamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[methyl(quinolin-8-ylsulfonyl)amino]acetamide has a molecular weight of 413.46 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[methyl(quinolin-8-ylsulfonyl)amino]acetamide is sourced from PubChem (CID 5308667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).