N-[3-[5-methoxy-2-(2-methylsulfanylethyl)anilino]quinoxalin-2-yl]ethanesulfonamide

C20H24N4O3S2 — CID 143739508

IUPACN-[3-[5-methoxy-2-(2-methylsulfanylethyl)anilino]quinoxalin-2-yl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1nc2ccccc2nc1Nc1cc(OC)ccc1CCSC
InChIInChI=1S/C20H24N4O3S2/c1-4-29(25,26)24-20-19(21-16-7-5-6-8-17(16)22-20)23-18-13-15(27-2)10-9-14(18)11-12-28-3/h5-10,13H,4,11-12H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyCPPVIFQCGXBAGE-UHFFFAOYSA-N
MW432.57 g/mol
LogP4.05
Rot. Bonds9

About N-[3-[5-methoxy-2-(2-methylsulfanylethyl)anilino]quinoxalin-2-yl]ethanesulfonamide

N-[3-[5-methoxy-2-(2-methylsulfanylethyl)anilino]quinoxalin-2-yl]ethanesulfonamide (PubChem CID 143739508) has the molecular formula C20H24N4O3S2 and a molecular weight of 432.57 g/mol. Its IUPAC name is N-[3-[5-methoxy-2-(2-methylsulfanylethyl)anilino]quinoxalin-2-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-[3-[5-methoxy-2-(2-methylsulfanylethyl)anilino]quinoxalin-2-yl]ethanesulfonamide
PubChem CID143739508
Molecular FormulaC20H24N4O3S2
Molecular Weight432.57 g/mol
Exact Mass432.13
IUPAC NameN-[3-[5-methoxy-2-(2-methylsulfanylethyl)anilino]quinoxalin-2-yl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1nc2ccccc2nc1Nc1cc(OC)ccc1CCSC
InChIInChI=1S/C20H24N4O3S2/c1-4-29(25,26)24-20-19(21-16-7-5-6-8-17(16)22-20)23-18-13-15(27-2)10-9-14(18)11-12-28-3/h5-10,13H,4,11-12H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyCPPVIFQCGXBAGE-UHFFFAOYSA-N
XLogP4.05
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.57
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-[5-methoxy-2-(2-methylsulfonylethyl)anilino]quinoxalin-2-yl]-3-methylsulfanylpropane-1-sulfonamide
CID 24992143
N-[3-[2-(3-hydroxypropyl)-5-methoxyanilino]quinoxalin-2-yl]-1-methyl-2-(methylsulfanylmethyl)imidazole-4-sulfonamide
CID 143739522
CID 68699737
CID 68699737
N-[3-(2-ethylanilino)quinoxalin-2-yl]-4-methoxybenzenesulfonamide
CID 1392214
N-[3-[4-(2-hydroxyethyl)-2-methoxyanilino]quinoxalin-2-yl]ethanesulfonamide
CID 174603182
N-[3-[5-hydroxy-2-(2-methylsulfanylethyl)anilino]quinoxalin-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 139457086
1-[3-[2-(2-hydroxyethyl)-5-methoxyanilino]quinoxalin-2-yl]propane-1-sulfonamide
CID 24992801
CID 68700429
CID 68700429
2-[(dimethylamino)methyl]-N-[3-[2-(3-hydroxypropyl)-5-methoxyanilino]quinoxalin-2-yl]-1-methylimidazole-4-sulfonamide
CID 59353081
(2E)-N-[3-[2-(2-hydroxyethyl)-5-methoxyanilino]quinoxalin-2-yl]-1-methyliminopenta-2,4-diene-2-sulfonamide
CID 163974077
2-(hydroxymethyl)-N-[3-[2-(3-hydroxypropyl)-5-methoxyanilino]quinoxalin-2-yl]-1-methylimidazole-4-sulfonamide;tetrabutylazanium
CID 68701810
N-[3-[2-[(2R)-2,3-dihydroxypropyl]-5-methoxyanilino]quinoxalin-2-yl]-1-methylimidazole-4-sulfonamide
CID 68701562

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-methoxy-2-(2-methylsulfanylethyl)anilino]quinoxalin-2-yl]ethanesulfonamide?
The IUPAC name of N-[3-[5-methoxy-2-(2-methylsulfanylethyl)anilino]quinoxalin-2-yl]ethanesulfonamide (CID 143739508) is N-[3-[5-methoxy-2-(2-methylsulfanylethyl)anilino]quinoxalin-2-yl]ethanesulfonamide.
What is the SMILES notation for N-[3-[5-methoxy-2-(2-methylsulfanylethyl)anilino]quinoxalin-2-yl]ethanesulfonamide?
The canonical SMILES for N-[3-[5-methoxy-2-(2-methylsulfanylethyl)anilino]quinoxalin-2-yl]ethanesulfonamide is CCS(=O)(=O)Nc1nc2ccccc2nc1Nc1cc(OC)ccc1CCSC.
What is the InChIKey of N-[3-[5-methoxy-2-(2-methylsulfanylethyl)anilino]quinoxalin-2-yl]ethanesulfonamide?
The InChIKey is CPPVIFQCGXBAGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3S2/c1-4-29(25,26)24-20-19(21-16-7-5-6-8-17(16)22-20)23-18-13-15(27-2)10-9-14(18)11-12-28-3/h5-10,13H,4,11-12H2,1-3H3,(H,21,23)(H,22,24).
What are the key properties of N-[3-[5-methoxy-2-(2-methylsulfanylethyl)anilino]quinoxalin-2-yl]ethanesulfonamide?
N-[3-[5-methoxy-2-(2-methylsulfanylethyl)anilino]quinoxalin-2-yl]ethanesulfonamide has a molecular weight of 432.57 g/mol, XLogP of 4.05, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-methoxy-2-(2-methylsulfanylethyl)anilino]quinoxalin-2-yl]ethanesulfonamide is sourced from PubChem (CID 143739508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).