2-(dimethylamino)-N-[3-[[3-(4-fluoro-3-methoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide

C25H25FN6O4S — CID 59249201

IUPAC2-(dimethylamino)-N-[3-[[3-(4-fluoro-3-methoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide
SMILESCOc1cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc(NC(=O)CN(C)C)c2)ccc1F
InChIInChI=1S/C25H25FN6O4S/c1-32(2)15-23(33)27-16-7-6-8-18(13-16)37(34,35)31-25-24(29-20-9-4-5-10-21(20)30-25)28-17-11-12-19(26)22(14-17)36-3/h4-14H,15H2,1-3H3,(H,27,33)(H,28,29)(H,30,31)
InChIKeyKHYKARGKMPRDRO-UHFFFAOYSA-N
MW524.58 g/mol
LogP3.82
Rot. Bonds9

About 2-(dimethylamino)-N-[3-[[3-(4-fluoro-3-methoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide

2-(dimethylamino)-N-[3-[[3-(4-fluoro-3-methoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide (PubChem CID 59249201) has the molecular formula C25H25FN6O4S and a molecular weight of 524.58 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[3-[[3-(4-fluoro-3-methoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-[3-[[3-(4-fluoro-3-methoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide
PubChem CID59249201
Molecular FormulaC25H25FN6O4S
Molecular Weight524.58 g/mol
Exact Mass524.16
IUPAC Name2-(dimethylamino)-N-[3-[[3-(4-fluoro-3-methoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide
SMILESCOc1cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc(NC(=O)CN(C)C)c2)ccc1F
InChIInChI=1S/C25H25FN6O4S/c1-32(2)15-23(33)27-16-7-6-8-18(13-16)37(34,35)31-25-24(29-20-9-4-5-10-21(20)30-25)28-17-11-12-19(26)22(14-17)36-3/h4-14H,15H2,1-3H3,(H,27,33)(H,28,29)(H,30,31)
InChIKeyKHYKARGKMPRDRO-UHFFFAOYSA-N
XLogP3.82
TPSA125.55 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.58
LogP ≤ 53.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

2-(dimethylamino)-N-[3-[[3-(3,5-dimethylanilino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide
CID 25027721
2-bromo-N-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide
CID 59249165
2-[2-(dimethylamino)ethyl-methylamino]-N-[3-[[3-[3-(hydroxymethyl)-5-methoxyanilino]quinoxalin-2-yl]sulfamoyl]phenyl]acetamide
CID 70906967
3-chloro-N-[3-(3,4-dimethoxyanilino)quinoxalin-2-yl]benzenesulfonamide
CID 1413527
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
2-[(5-fluoro-2-methylphenyl)methylamino]-N-[3-[[3-(3-hydroxy-5-methoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide
CID 59249110
N-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-2-(2-methylpropylamino)acetamide
CID 59272561
N-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-3-(3-methoxyphenyl)propanamide
CID 57448579
N-[3-(4-chloro-3-methoxyanilino)quinoxalin-2-yl]benzenesulfonamide
CID 57448451
N-[4-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]amino]phenyl]-2-(dimethylamino)acetamide
CID 143442920

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-[3-[[3-(4-fluoro-3-methoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide?
The IUPAC name of 2-(dimethylamino)-N-[3-[[3-(4-fluoro-3-methoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide (CID 59249201) is 2-(dimethylamino)-N-[3-[[3-(4-fluoro-3-methoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide.
What is the SMILES notation for 2-(dimethylamino)-N-[3-[[3-(4-fluoro-3-methoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide?
The canonical SMILES for 2-(dimethylamino)-N-[3-[[3-(4-fluoro-3-methoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide is COc1cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc(NC(=O)CN(C)C)c2)ccc1F.
What is the InChIKey of 2-(dimethylamino)-N-[3-[[3-(4-fluoro-3-methoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide?
The InChIKey is KHYKARGKMPRDRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN6O4S/c1-32(2)15-23(33)27-16-7-6-8-18(13-16)37(34,35)31-25-24(29-20-9-4-5-10-21(20)30-25)28-17-11-12-19(26)22(14-17)36-3/h4-14H,15H2,1-3H3,(H,27,33)(H,28,29)(H,30,31).
What are the key properties of 2-(dimethylamino)-N-[3-[[3-(4-fluoro-3-methoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide?
2-(dimethylamino)-N-[3-[[3-(4-fluoro-3-methoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide has a molecular weight of 524.58 g/mol, XLogP of 3.82, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-[3-[[3-(4-fluoro-3-methoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 59249201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).