N-[1-[3-[(4-acetamidophenyl)sulfonylamino]quinoxalin-2-yl]-4-pyridinylidene]benzamide

C28H22N6O4S — CID 2026117

IUPACN-[1-[3-[(4-acetamidophenyl)sulfonylamino]quinoxalin-2-yl]-4-pyridinylidene]benzamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2-n2ccc(=NC(=O)c3ccccc3)cc2)cc1
InChIInChI=1S/C28H22N6O4S/c1-19(35)29-21-11-13-23(14-12-21)39(37,38)33-26-27(32-25-10-6-5-9-24(25)31-26)34-17-15-22(16-18-34)30-28(36)20-7-3-2-4-8-20/h2-18H,1H3,(H,29,35)(H,31,33)
InChIKeyMJSUQZMDKFHGKS-UHFFFAOYSA-N
MW538.59 g/mol
LogP3.92
Rot. Bonds6

About N-[1-[3-[(4-acetamidophenyl)sulfonylamino]quinoxalin-2-yl]-4-pyridinylidene]benzamide

N-[1-[3-[(4-acetamidophenyl)sulfonylamino]quinoxalin-2-yl]-4-pyridinylidene]benzamide (PubChem CID 2026117) has the molecular formula C28H22N6O4S and a molecular weight of 538.59 g/mol. Its IUPAC name is N-[1-[3-[(4-acetamidophenyl)sulfonylamino]quinoxalin-2-yl]-4-pyridinylidene]benzamide.

Molecular Properties

Compound NameN-[1-[3-[(4-acetamidophenyl)sulfonylamino]quinoxalin-2-yl]-4-pyridinylidene]benzamide
PubChem CID2026117
Molecular FormulaC28H22N6O4S
Molecular Weight538.59 g/mol
Exact Mass538.14
IUPAC NameN-[1-[3-[(4-acetamidophenyl)sulfonylamino]quinoxalin-2-yl]-4-pyridinylidene]benzamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2-n2ccc(=NC(=O)c3ccccc3)cc2)cc1
InChIInChI=1S/C28H22N6O4S/c1-19(35)29-21-11-13-23(14-12-21)39(37,38)33-26-27(32-25-10-6-5-9-24(25)31-26)34-17-15-22(16-18-34)30-28(36)20-7-3-2-4-8-20/h2-18H,1H3,(H,29,35)(H,31,33)
InChIKeyMJSUQZMDKFHGKS-UHFFFAOYSA-N
XLogP3.92
TPSA135.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500538.59
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[1-[3-[(4-acetamidophenyl)sulfonylamino]quinoxalin-2-yl]-4-pyridinylidene]benzamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[4-[[3-(2-hydroxyethylamino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide
CID 25038629
N-[4-[[3-(4-methylanilino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide
CID 1241528
N-[4-[(3-propoxyquinoxalin-2-yl)sulfamoyl]phenyl]acetamide
CID 7693406
N-[4-[[3-[[(1S)-1-(4-fluorophenyl)ethyl]amino]quinoxalin-2-yl]sulfamoyl]phenyl]acetamide
CID 26950479
N-[4-[[3-(dibutylamino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide
CID 2297789
N-[4-[[3-(3-sulfamoylanilino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide
CID 3343597
2-[(4-acetamidophenyl)sulfonylamino]benzoic acid
CID 3863821
N-[4-[(R)-cyano-[3-(2-phenylethylamino)quinoxalin-2-yl]methyl]sulfonylphenyl]acetamide
CID 2161095
4-[[3-[(4-aminophenyl)sulfonylamino]quinoxalin-2-yl]amino]benzoic acid
CID 143628844
N-[4-(acetylsulfamoyl)phenyl]-4-benzamidobenzamide
CID 17153285
N-[4-[(1-benzyl-4-chloropyrazol-3-yl)sulfamoyl]phenyl]acetamide
CID 22207196
2-[(4-acetamidophenyl)sulfonylamino]benzoate
CID 7040069

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-[(4-acetamidophenyl)sulfonylamino]quinoxalin-2-yl]-4-pyridinylidene]benzamide?
The IUPAC name of N-[1-[3-[(4-acetamidophenyl)sulfonylamino]quinoxalin-2-yl]-4-pyridinylidene]benzamide (CID 2026117) is N-[1-[3-[(4-acetamidophenyl)sulfonylamino]quinoxalin-2-yl]-4-pyridinylidene]benzamide.
What is the SMILES notation for N-[1-[3-[(4-acetamidophenyl)sulfonylamino]quinoxalin-2-yl]-4-pyridinylidene]benzamide?
The canonical SMILES for N-[1-[3-[(4-acetamidophenyl)sulfonylamino]quinoxalin-2-yl]-4-pyridinylidene]benzamide is CC(=O)Nc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2-n2ccc(=NC(=O)c3ccccc3)cc2)cc1.
What is the InChIKey of N-[1-[3-[(4-acetamidophenyl)sulfonylamino]quinoxalin-2-yl]-4-pyridinylidene]benzamide?
The InChIKey is MJSUQZMDKFHGKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22N6O4S/c1-19(35)29-21-11-13-23(14-12-21)39(37,38)33-26-27(32-25-10-6-5-9-24(25)31-26)34-17-15-22(16-18-34)30-28(36)20-7-3-2-4-8-20/h2-18H,1H3,(H,29,35)(H,31,33).
What are the key properties of N-[1-[3-[(4-acetamidophenyl)sulfonylamino]quinoxalin-2-yl]-4-pyridinylidene]benzamide?
N-[1-[3-[(4-acetamidophenyl)sulfonylamino]quinoxalin-2-yl]-4-pyridinylidene]benzamide has a molecular weight of 538.59 g/mol, XLogP of 3.92, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-[(4-acetamidophenyl)sulfonylamino]quinoxalin-2-yl]-4-pyridinylidene]benzamide is sourced from PubChem (CID 2026117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).