2-(dimethylamino)-N-[3-[[3-(3,5-dimethylanilino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide

C26H28N6O3S — CID 25027721

IUPAC2-(dimethylamino)-N-[3-[[3-(3,5-dimethylanilino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide
SMILESCc1cc(C)cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc(NC(=O)CN(C)C)c2)c1
InChIInChI=1S/C26H28N6O3S/c1-17-12-18(2)14-20(13-17)28-25-26(30-23-11-6-5-10-22(23)29-25)31-36(34,35)21-9-7-8-19(15-21)27-24(33)16-32(3)4/h5-15H,16H2,1-4H3,(H,27,33)(H,28,29)(H,30,31)
InChIKeyHVWDKPLPWHGBGE-UHFFFAOYSA-N
MW504.62 g/mol
LogP4.29
Rot. Bonds8

About 2-(dimethylamino)-N-[3-[[3-(3,5-dimethylanilino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide

2-(dimethylamino)-N-[3-[[3-(3,5-dimethylanilino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide (PubChem CID 25027721) has the molecular formula C26H28N6O3S and a molecular weight of 504.62 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[3-[[3-(3,5-dimethylanilino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-[3-[[3-(3,5-dimethylanilino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide
PubChem CID25027721
Molecular FormulaC26H28N6O3S
Molecular Weight504.62 g/mol
Exact Mass504.19
IUPAC Name2-(dimethylamino)-N-[3-[[3-(3,5-dimethylanilino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide
SMILESCc1cc(C)cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc(NC(=O)CN(C)C)c2)c1
InChIInChI=1S/C26H28N6O3S/c1-17-12-18(2)14-20(13-17)28-25-26(30-23-11-6-5-10-22(23)29-25)31-36(34,35)21-9-7-8-19(15-21)27-24(33)16-32(3)4/h5-15H,16H2,1-4H3,(H,27,33)(H,28,29)(H,30,31)
InChIKeyHVWDKPLPWHGBGE-UHFFFAOYSA-N
XLogP4.29
TPSA116.32 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.62
LogP ≤ 54.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-(dimethylamino)-N-[3-[[3-(4-fluoro-3-methoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide
CID 59249201
2-bromo-N-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide
CID 59249165
N-[3-(3,5-dimethylanilino)quinoxalin-2-yl]benzenesulfonamide
CID 1325943
3-chloro-N-[3-(3,5-dimethylanilino)quinoxalin-2-yl]benzenesulfonamide
CID 1400465
2-[2-(dimethylamino)ethyl-methylamino]-N-[3-[[3-[3-(hydroxymethyl)-5-methoxyanilino]quinoxalin-2-yl]sulfamoyl]phenyl]acetamide
CID 70906967
2-[ethyl(propan-2-yl)amino]-N-[3-[[3-(3-hydroxy-5-methoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide
CID 59249131
N-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-2-[methyl-(1-methylpyrrolidin-3-yl)amino]acetamide
CID 59249158
N-[3-[[7-[5-bromo-4-[[3-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]sulfonylamino]quinoxalin-2-yl]amino]-2-methoxyphenyl]-3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-2-(propylamino)acetamide
CID 145495818
N-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-2-(2-methylpropylamino)acetamide
CID 59272561
N-[3-[[3-(3-hydroxy-5-methoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-2-(3-methylphenoxy)acetamide
CID 59249214
N-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-3-(3-methoxyphenyl)propanamide
CID 57448579
N-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-2-[2-(prop-2-enylamino)ethylamino]acetamide
CID 143443028

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-[3-[[3-(3,5-dimethylanilino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide?
The IUPAC name of 2-(dimethylamino)-N-[3-[[3-(3,5-dimethylanilino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide (CID 25027721) is 2-(dimethylamino)-N-[3-[[3-(3,5-dimethylanilino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide.
What is the SMILES notation for 2-(dimethylamino)-N-[3-[[3-(3,5-dimethylanilino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide?
The canonical SMILES for 2-(dimethylamino)-N-[3-[[3-(3,5-dimethylanilino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide is Cc1cc(C)cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc(NC(=O)CN(C)C)c2)c1.
What is the InChIKey of 2-(dimethylamino)-N-[3-[[3-(3,5-dimethylanilino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide?
The InChIKey is HVWDKPLPWHGBGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O3S/c1-17-12-18(2)14-20(13-17)28-25-26(30-23-11-6-5-10-22(23)29-25)31-36(34,35)21-9-7-8-19(15-21)27-24(33)16-32(3)4/h5-15H,16H2,1-4H3,(H,27,33)(H,28,29)(H,30,31).
What are the key properties of 2-(dimethylamino)-N-[3-[[3-(3,5-dimethylanilino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide?
2-(dimethylamino)-N-[3-[[3-(3,5-dimethylanilino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide has a molecular weight of 504.62 g/mol, XLogP of 4.29, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-[3-[[3-(3,5-dimethylanilino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 25027721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).