N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide

C19H23N3O6S — CID 16601381

IUPACN-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide
SMILESCN(C)S(=O)(=O)c1ccc(=O)n(CC(=O)NCCc2ccc3c(c2)OCCO3)c1
InChIInChI=1S/C19H23N3O6S/c1-21(2)29(25,26)15-4-6-19(24)22(12-15)13-18(23)20-8-7-14-3-5-16-17(11-14)28-10-9-27-16/h3-6,11-12H,7-10,13H2,1-2H3,(H,20,23)
InChIKeyOOLWASZABGDLJR-UHFFFAOYSA-N
MW421.48 g/mol
LogP0.23
Rot. Bonds7

About N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide

N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide (PubChem CID 16601381) has the molecular formula C19H23N3O6S and a molecular weight of 421.48 g/mol. Its IUPAC name is N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide
PubChem CID16601381
Molecular FormulaC19H23N3O6S
Molecular Weight421.48 g/mol
Exact Mass421.13
IUPAC NameN-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide
SMILESCN(C)S(=O)(=O)c1ccc(=O)n(CC(=O)NCCc2ccc3c(c2)OCCO3)c1
InChIInChI=1S/C19H23N3O6S/c1-21(2)29(25,26)15-4-6-19(24)22(12-15)13-18(23)20-8-7-14-3-5-16-17(11-14)28-10-9-27-16/h3-6,11-12H,7-10,13H2,1-2H3,(H,20,23)
InChIKeyOOLWASZABGDLJR-UHFFFAOYSA-N
XLogP0.23
TPSA106.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.48
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide with MolForge

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Related Compounds

2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(3-methylbutyl)acetamide
CID 7828901
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-(dimethylsulfamoyl)benzamide
CID 7927529
N-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]-2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide
CID 7829072
[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-2-oxoethyl] 3-(dimethylsulfamoyl)benzoate
CID 16595620
2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 7768251
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(methylamino)acetamide
CID 24694943
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide
CID 4785365
2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
CID 46821848
2-amino-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]acetamide;hydrochloride
CID 119266692
2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 7828980
4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-4-oxobutanoic acid
CID 9152135
2-[[2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]acetyl]amino]-N-(4-fluorophenyl)acetamide
CID 7829051

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide?
The IUPAC name of N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide (CID 16601381) is N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide.
What is the SMILES notation for N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide?
The canonical SMILES for N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide is CN(C)S(=O)(=O)c1ccc(=O)n(CC(=O)NCCc2ccc3c(c2)OCCO3)c1.
What is the InChIKey of N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide?
The InChIKey is OOLWASZABGDLJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O6S/c1-21(2)29(25,26)15-4-6-19(24)22(12-15)13-18(23)20-8-7-14-3-5-16-17(11-14)28-10-9-27-16/h3-6,11-12H,7-10,13H2,1-2H3,(H,20,23).
What are the key properties of N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide?
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide has a molecular weight of 421.48 g/mol, XLogP of 0.23, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide is sourced from PubChem (CID 16601381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).