N,N-dimethyl-6-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]sulfanylpyridine-3-sulfonamide

C17H18N4O4S2 — CID 8002420

IUPACN,N-dimethyl-6-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]sulfanylpyridine-3-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(SCC(=O)N2CC(=O)Nc3ccccc32)nc1
InChIInChI=1S/C17H18N4O4S2/c1-20(2)27(24,25)12-7-8-16(18-9-12)26-11-17(23)21-10-15(22)19-13-5-3-4-6-14(13)21/h3-9H,10-11H2,1-2H3,(H,19,22)
InChIKeyZUJVKDAMIJGIOJ-UHFFFAOYSA-N
MW406.49 g/mol
LogP1.41
Rot. Bonds5

About N,N-dimethyl-6-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]sulfanylpyridine-3-sulfonamide

N,N-dimethyl-6-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]sulfanylpyridine-3-sulfonamide (PubChem CID 8002420) has the molecular formula C17H18N4O4S2 and a molecular weight of 406.49 g/mol. Its IUPAC name is N,N-dimethyl-6-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]sulfanylpyridine-3-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-6-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]sulfanylpyridine-3-sulfonamide
PubChem CID8002420
Molecular FormulaC17H18N4O4S2
Molecular Weight406.49 g/mol
Exact Mass406.08
IUPAC NameN,N-dimethyl-6-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]sulfanylpyridine-3-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(SCC(=O)N2CC(=O)Nc3ccccc32)nc1
InChIInChI=1S/C17H18N4O4S2/c1-20(2)27(24,25)12-7-8-16(18-9-12)26-11-17(23)21-10-15(22)19-13-5-3-4-6-14(13)21/h3-9H,10-11H2,1-2H3,(H,19,22)
InChIKeyZUJVKDAMIJGIOJ-UHFFFAOYSA-N
XLogP1.41
TPSA99.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N,N-dimethyl-6-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]sulfanylpyridine-3-sulfonamide with MolForge

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Related Compounds

2-(pyridin-2-ylsulfanyl)-N-(4-sulfamoylphenyl)acetamide
CID 647669
N-[4-({[2-(2-pyridinylthio)ethyl]amino}sulfonyl)phenyl]acetamide
CID 2267185
2-[N-(benzenesulfonyl)-2-methylanilino]-N-(2-pyridin-2-ylsulfanylethyl)acetamide
CID 2266421
2-[4-methyl(methylsulfonyl)anilino]-N-[2-(2-pyridinylsulfanyl)ethyl]acetamide
CID 2267370
N-[4-(diethylsulfamoyl)phenyl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide
CID 2341779
2-pyridin-2-ylsulfanyl-N-(3-sulfamoylphenyl)acetamide
CID 3911051
N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide
CID 4607409
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CID 5307179
N-(3-Methoxypropyl)-2-{2-oxo-1H,2H,3H-pyrido[2,3-B][1,4]thiazin-1-YL}acetamide
CID 5307337
2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)-N-(1-phenylbutan-2-yl)acetamide
CID 5308257
N-methyl-2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide
CID 5308434
2-[3-oxo-6-(piperidin-1-ylsulfonyl)-2,3-dihydro-4H-1,4-benzothiazin-4-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 12004467

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-6-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]sulfanylpyridine-3-sulfonamide?
The IUPAC name of N,N-dimethyl-6-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]sulfanylpyridine-3-sulfonamide (CID 8002420) is N,N-dimethyl-6-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]sulfanylpyridine-3-sulfonamide.
What is the SMILES notation for N,N-dimethyl-6-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]sulfanylpyridine-3-sulfonamide?
The canonical SMILES for N,N-dimethyl-6-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]sulfanylpyridine-3-sulfonamide is CN(C)S(=O)(=O)c1ccc(SCC(=O)N2CC(=O)Nc3ccccc32)nc1.
What is the InChIKey of N,N-dimethyl-6-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]sulfanylpyridine-3-sulfonamide?
The InChIKey is ZUJVKDAMIJGIOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O4S2/c1-20(2)27(24,25)12-7-8-16(18-9-12)26-11-17(23)21-10-15(22)19-13-5-3-4-6-14(13)21/h3-9H,10-11H2,1-2H3,(H,19,22).
What are the key properties of N,N-dimethyl-6-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]sulfanylpyridine-3-sulfonamide?
N,N-dimethyl-6-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]sulfanylpyridine-3-sulfonamide has a molecular weight of 406.49 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-6-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]sulfanylpyridine-3-sulfonamide is sourced from PubChem (CID 8002420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).