N-[4-[[3-(2-hydroxyethylamino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide

C18H19N5O4S — CID 25038629

IUPACN-[4-[[3-(2-hydroxyethylamino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2NCCO)cc1
InChIInChI=1S/C18H19N5O4S/c1-12(25)20-13-6-8-14(9-7-13)28(26,27)23-18-17(19-10-11-24)21-15-4-2-3-5-16(15)22-18/h2-9,24H,10-11H2,1H3,(H,19,21)(H,20,25)(H,22,23)
InChIKeyJQCJHVGTYZTOOE-UHFFFAOYSA-N
MW401.45 g/mol
LogP1.79
Rot. Bonds7

About N-[4-[[3-(2-hydroxyethylamino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide

N-[4-[[3-(2-hydroxyethylamino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide (PubChem CID 25038629) has the molecular formula C18H19N5O4S and a molecular weight of 401.45 g/mol. Its IUPAC name is N-[4-[[3-(2-hydroxyethylamino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[3-(2-hydroxyethylamino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide
PubChem CID25038629
Molecular FormulaC18H19N5O4S
Molecular Weight401.45 g/mol
Exact Mass401.12
IUPAC NameN-[4-[[3-(2-hydroxyethylamino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2NCCO)cc1
InChIInChI=1S/C18H19N5O4S/c1-12(25)20-13-6-8-14(9-7-13)28(26,27)23-18-17(19-10-11-24)21-15-4-2-3-5-16(15)22-18/h2-9,24H,10-11H2,1H3,(H,19,21)(H,20,25)(H,22,23)
InChIKeyJQCJHVGTYZTOOE-UHFFFAOYSA-N
XLogP1.79
TPSA133.31 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.45
LogP ≤ 51.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-[[3-(4-methylanilino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide
CID 1241528
N-[4-[cyano-[3-(2-hydroxyethylamino)quinoxalin-2-yl]methyl]sulfonylphenyl]acetamide
CID 3998468
N-[4-[[3-(dibutylamino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide
CID 2297789
N-[4-[(3-propoxyquinoxalin-2-yl)sulfamoyl]phenyl]acetamide
CID 7693406
N-[4-[[3-(3-sulfamoylanilino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide
CID 3343597
N-[4-[[3-[[(1S)-1-(4-fluorophenyl)ethyl]amino]quinoxalin-2-yl]sulfamoyl]phenyl]acetamide
CID 26950479
N-[4-[(R)-cyano-[3-(3-hydroxypropylamino)quinoxalin-2-yl]methyl]sulfonylphenyl]acetamide
CID 2107167
N-[4-[[3-[2-(3-hydroxypropoxy)-3,5-dimethoxyanilino]quinoxalin-2-yl]sulfamoyl]phenyl]acetamide
CID 56966768
4-methyl-N-[3-(pentylamino)quinoxalin-2-yl]benzenesulfonamide
CID 3340734
N-[3-[2-[4-(hydroxymethyl)phenyl]ethylamino]quinoxalin-2-yl]benzenesulfonamide
CID 133434691
N-[1-[3-[(4-acetamidophenyl)sulfonylamino]quinoxalin-2-yl]-4-pyridinylidene]benzamide
CID 2026117
N-[4-[(R)-cyano-[3-(2-phenylethylamino)quinoxalin-2-yl]methyl]sulfonylphenyl]acetamide
CID 2161095

Frequently Asked Questions

What is the IUPAC name of N-[4-[[3-(2-hydroxyethylamino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[[3-(2-hydroxyethylamino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide (CID 25038629) is N-[4-[[3-(2-hydroxyethylamino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[3-(2-hydroxyethylamino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[3-(2-hydroxyethylamino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2NCCO)cc1.
What is the InChIKey of N-[4-[[3-(2-hydroxyethylamino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide?
The InChIKey is JQCJHVGTYZTOOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O4S/c1-12(25)20-13-6-8-14(9-7-13)28(26,27)23-18-17(19-10-11-24)21-15-4-2-3-5-16(15)22-18/h2-9,24H,10-11H2,1H3,(H,19,21)(H,20,25)(H,22,23).
What are the key properties of N-[4-[[3-(2-hydroxyethylamino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide?
N-[4-[[3-(2-hydroxyethylamino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide has a molecular weight of 401.45 g/mol, XLogP of 1.79, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[3-(2-hydroxyethylamino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 25038629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).