2-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]-N-(2-fluoro-4-methylphenyl)anilino]acetamide

C31H29FN6O5S — CID 67162851

IUPAC2-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]-N-(2-fluoro-4-methylphenyl)anilino]acetamide
SMILESCOc1cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc(N(CC(N)=O)c3ccc(C)cc3F)c2)cc(OC)c1
InChIInChI=1S/C31H29FN6O5S/c1-19-11-12-28(25(32)13-19)38(18-29(33)39)21-7-6-8-24(16-21)44(40,41)37-31-30(35-26-9-4-5-10-27(26)36-31)34-20-14-22(42-2)17-23(15-20)43-3/h4-17H,18H2,1-3H3,(H2,33,39)(H,34,35)(H,36,37)
InChIKeyIDIBGEHMOSWCEV-UHFFFAOYSA-N
MW616.68 g/mol
LogP5.26
Rot. Bonds11

About 2-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]-N-(2-fluoro-4-methylphenyl)anilino]acetamide

2-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]-N-(2-fluoro-4-methylphenyl)anilino]acetamide (PubChem CID 67162851) has the molecular formula C31H29FN6O5S and a molecular weight of 616.68 g/mol. Its IUPAC name is 2-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]-N-(2-fluoro-4-methylphenyl)anilino]acetamide.

Molecular Properties

Compound Name2-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]-N-(2-fluoro-4-methylphenyl)anilino]acetamide
PubChem CID67162851
Molecular FormulaC31H29FN6O5S
Molecular Weight616.68 g/mol
Exact Mass616.19
IUPAC Name2-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]-N-(2-fluoro-4-methylphenyl)anilino]acetamide
SMILESCOc1cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc(N(CC(N)=O)c3ccc(C)cc3F)c2)cc(OC)c1
InChIInChI=1S/C31H29FN6O5S/c1-19-11-12-28(25(32)13-19)38(18-29(33)39)21-7-6-8-24(16-21)44(40,41)37-31-30(35-26-9-4-5-10-27(26)36-31)34-20-14-22(42-2)17-23(15-20)43-3/h4-17H,18H2,1-3H3,(H2,33,39)(H,34,35)(H,36,37)
InChIKeyIDIBGEHMOSWCEV-UHFFFAOYSA-N
XLogP5.26
TPSA148.77 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500616.68
LogP ≤ 55.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 2-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]-N-(2-fluoro-4-methylphenyl)anilino]acetamide with MolForge

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Related Compounds

2-[N-(2-tert-butylphenyl)-3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]anilino]acetamide
CID 67162349
2-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]-N-[2-(dimethylamino)ethyl]anilino]acetamide
CID 67161966
2-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]-N-(2-hydroxypropyl)anilino]acetamide
CID 67162947
3-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-3-(4-methoxyphenyl)propanamide
CID 90796373
N-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-N-ethylazetidine-3-carboxamide
CID 68794336
2-bromo-N-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide
CID 59249165
N-[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]-3,4-dimethylbenzenesulfonamide
CID 1402865
3-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]pyridazine-4-carboxamide
CID 69082299
3-cyclopentyl-2-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]propanamide
CID 69122806
1-amino-N-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]cyclopropane-1-carboxamide
CID 57448487
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-methoxybenzamide
CID 57448571

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]-N-(2-fluoro-4-methylphenyl)anilino]acetamide?
The IUPAC name of 2-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]-N-(2-fluoro-4-methylphenyl)anilino]acetamide (CID 67162851) is 2-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]-N-(2-fluoro-4-methylphenyl)anilino]acetamide.
What is the SMILES notation for 2-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]-N-(2-fluoro-4-methylphenyl)anilino]acetamide?
The canonical SMILES for 2-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]-N-(2-fluoro-4-methylphenyl)anilino]acetamide is COc1cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc(N(CC(N)=O)c3ccc(C)cc3F)c2)cc(OC)c1.
What is the InChIKey of 2-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]-N-(2-fluoro-4-methylphenyl)anilino]acetamide?
The InChIKey is IDIBGEHMOSWCEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29FN6O5S/c1-19-11-12-28(25(32)13-19)38(18-29(33)39)21-7-6-8-24(16-21)44(40,41)37-31-30(35-26-9-4-5-10-27(26)36-31)34-20-14-22(42-2)17-23(15-20)43-3/h4-17H,18H2,1-3H3,(H2,33,39)(H,34,35)(H,36,37).
What are the key properties of 2-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]-N-(2-fluoro-4-methylphenyl)anilino]acetamide?
2-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]-N-(2-fluoro-4-methylphenyl)anilino]acetamide has a molecular weight of 616.68 g/mol, XLogP of 5.26, 11 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]-N-(2-fluoro-4-methylphenyl)anilino]acetamide is sourced from PubChem (CID 67162851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).