N-[3-[[3-(3-hydroxy-5-methoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-2-(3-methylphenoxy)acetamide

C30H27N5O6S — CID 59249214

IUPACN-[3-[[3-(3-hydroxy-5-methoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-2-(3-methylphenoxy)acetamide
SMILESCOc1cc(O)cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc(NC(=O)COc3cccc(C)c3)c2)c1
InChIInChI=1S/C30H27N5O6S/c1-19-7-5-9-23(13-19)41-18-28(37)31-20-8-6-10-25(16-20)42(38,39)35-30-29(33-26-11-3-4-12-27(26)34-30)32-21-14-22(36)17-24(15-21)40-2/h3-17,36H,18H2,1-2H3,(H,31,37)(H,32,33)(H,34,35)
InChIKeyJWVAKUXHAAZJKC-UHFFFAOYSA-N
MW585.64 g/mol
LogP5.21
Rot. Bonds10

About N-[3-[[3-(3-hydroxy-5-methoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-2-(3-methylphenoxy)acetamide

N-[3-[[3-(3-hydroxy-5-methoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-2-(3-methylphenoxy)acetamide (PubChem CID 59249214) has the molecular formula C30H27N5O6S and a molecular weight of 585.64 g/mol. Its IUPAC name is N-[3-[[3-(3-hydroxy-5-methoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-2-(3-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[3-[[3-(3-hydroxy-5-methoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-2-(3-methylphenoxy)acetamide
PubChem CID59249214
Molecular FormulaC30H27N5O6S
Molecular Weight585.64 g/mol
Exact Mass585.17
IUPAC NameN-[3-[[3-(3-hydroxy-5-methoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-2-(3-methylphenoxy)acetamide
SMILESCOc1cc(O)cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc(NC(=O)COc3cccc(C)c3)c2)c1
InChIInChI=1S/C30H27N5O6S/c1-19-7-5-9-23(13-19)41-18-28(37)31-20-8-6-10-25(16-20)42(38,39)35-30-29(33-26-11-3-4-12-27(26)34-30)32-21-14-22(36)17-24(15-21)40-2/h3-17,36H,18H2,1-2H3,(H,31,37)(H,32,33)(H,34,35)
InChIKeyJWVAKUXHAAZJKC-UHFFFAOYSA-N
XLogP5.21
TPSA151.77 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500585.64
LogP ≤ 55.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Related Compounds

N-[3-[[3-(3-hydroxy-5-methoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-4-methylpentanamide;methane
CID 158201665
N-[3-[[3-(3-hydroxy-5-methoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-2-[(4-methylphenyl)methoxyamino]acetamide
CID 59249129
N-[3-[[3-(3-hydroxy-5-methoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-2-pyridin-3-ylacetamide
CID 59249030
2-(butylamino)-N-[3-[[3-(3-hydroxy-5-methoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide;methane
CID 162126396
N-[3-[[3-(3-hydroxy-5-methoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-2-(2-phenylpropylamino)acetamide
CID 59249161
2-bromo-N-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide
CID 59249165
2-[ethyl(propan-2-yl)amino]-N-[3-[[3-(3-hydroxy-5-methoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide
CID 59249131
2-[(5-fluoro-2-methylphenyl)methylamino]-N-[3-[[3-(3-hydroxy-5-methoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide
CID 59249110
2-(4-formylpiperazin-1-yl)-N-[3-[[3-(3-hydroxy-5-methoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide
CID 59249191
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-methylpropylamino)acetamide
CID 59272561
N-[3-[[3-(3-hydroxy-5-methoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-2-[methyl(pyridin-3-ylmethyl)amino]acetamide;methane
CID 159392806

Frequently Asked Questions

What is the IUPAC name of N-[3-[[3-(3-hydroxy-5-methoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-2-(3-methylphenoxy)acetamide?
The IUPAC name of N-[3-[[3-(3-hydroxy-5-methoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-2-(3-methylphenoxy)acetamide (CID 59249214) is N-[3-[[3-(3-hydroxy-5-methoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-2-(3-methylphenoxy)acetamide.
What is the SMILES notation for N-[3-[[3-(3-hydroxy-5-methoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-2-(3-methylphenoxy)acetamide?
The canonical SMILES for N-[3-[[3-(3-hydroxy-5-methoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-2-(3-methylphenoxy)acetamide is COc1cc(O)cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc(NC(=O)COc3cccc(C)c3)c2)c1.
What is the InChIKey of N-[3-[[3-(3-hydroxy-5-methoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-2-(3-methylphenoxy)acetamide?
The InChIKey is JWVAKUXHAAZJKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27N5O6S/c1-19-7-5-9-23(13-19)41-18-28(37)31-20-8-6-10-25(16-20)42(38,39)35-30-29(33-26-11-3-4-12-27(26)34-30)32-21-14-22(36)17-24(15-21)40-2/h3-17,36H,18H2,1-2H3,(H,31,37)(H,32,33)(H,34,35).
What are the key properties of N-[3-[[3-(3-hydroxy-5-methoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-2-(3-methylphenoxy)acetamide?
N-[3-[[3-(3-hydroxy-5-methoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-2-(3-methylphenoxy)acetamide has a molecular weight of 585.64 g/mol, XLogP of 5.21, 10 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[3-(3-hydroxy-5-methoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-2-(3-methylphenoxy)acetamide is sourced from PubChem (CID 59249214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).