N-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]methylsulfonyl]phenyl]-4-oxopentanamide

C28H28N4O6S — CID 58274510

IUPACN-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]methylsulfonyl]phenyl]-4-oxopentanamide
SMILESCOc1cc(Nc2nc3ccccc3nc2CS(=O)(=O)c2cccc(NC(=O)CCC(C)=O)c2)cc(OC)c1
InChIInChI=1S/C28H28N4O6S/c1-18(33)11-12-27(34)29-19-7-6-8-23(15-19)39(35,36)17-26-28(32-25-10-5-4-9-24(25)31-26)30-20-13-21(37-2)16-22(14-20)38-3/h4-10,13-16H,11-12,17H2,1-3H3,(H,29,34)(H,30,32)
InChIKeyXFDIZCWQRQDUNT-UHFFFAOYSA-N
MW548.62 g/mol
LogP4.67
Rot. Bonds11

About N-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]methylsulfonyl]phenyl]-4-oxopentanamide

N-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]methylsulfonyl]phenyl]-4-oxopentanamide (PubChem CID 58274510) has the molecular formula C28H28N4O6S and a molecular weight of 548.62 g/mol. Its IUPAC name is N-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]methylsulfonyl]phenyl]-4-oxopentanamide.

Molecular Properties

Compound NameN-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]methylsulfonyl]phenyl]-4-oxopentanamide
PubChem CID58274510
Molecular FormulaC28H28N4O6S
Molecular Weight548.62 g/mol
Exact Mass548.17
IUPAC NameN-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]methylsulfonyl]phenyl]-4-oxopentanamide
SMILESCOc1cc(Nc2nc3ccccc3nc2CS(=O)(=O)c2cccc(NC(=O)CCC(C)=O)c2)cc(OC)c1
InChIInChI=1S/C28H28N4O6S/c1-18(33)11-12-27(34)29-19-7-6-8-23(15-19)39(35,36)17-26-28(32-25-10-5-4-9-24(25)31-26)30-20-13-21(37-2)16-22(14-20)38-3/h4-10,13-16H,11-12,17H2,1-3H3,(H,29,34)(H,30,32)
InChIKeyXFDIZCWQRQDUNT-UHFFFAOYSA-N
XLogP4.67
TPSA136.58 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500548.62
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]methylsulfonyl]phenyl]-4-oxopentanamide 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-(3,5-dimethoxyphenyl)-3-[[3-(methylamino)phenyl]sulfonylmethyl]quinoxalin-2-amine
CID 58274304
N-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]methylsulfonyl]phenyl]-2-morpholin-4-ylacetamide
CID 58274249
N-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]methylsulfonyl]phenyl]-2-(4-methylpiperazin-1-yl)acetamide
CID 58274225
2-bromo-N-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide
CID 59249165
N-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-3-(3-methoxyphenyl)propanamide
CID 57448579
2-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]methylsulfonyl]phenyl]-1-(1-methylpyrrol-2-yl)ethanone
CID 58274231
N-[3-[[3-(3-hydroxy-5-methoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-4-methylpentanamide;methane
CID 158201665
N-[3-[[3-(3,5-dimethoxyphenoxy)quinoxalin-2-yl]methylsulfonyl]phenyl]hydroxylamine
CID 152888652
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
N-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-2-[2-(prop-2-enylamino)ethylamino]acetamide
CID 143443028
N-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-2-(4-methylpiperidin-1-yl)acetamide
CID 57448552

Frequently Asked Questions

What is the IUPAC name of N-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]methylsulfonyl]phenyl]-4-oxopentanamide?
The IUPAC name of N-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]methylsulfonyl]phenyl]-4-oxopentanamide (CID 58274510) is N-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]methylsulfonyl]phenyl]-4-oxopentanamide.
What is the SMILES notation for N-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]methylsulfonyl]phenyl]-4-oxopentanamide?
The canonical SMILES for N-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]methylsulfonyl]phenyl]-4-oxopentanamide is COc1cc(Nc2nc3ccccc3nc2CS(=O)(=O)c2cccc(NC(=O)CCC(C)=O)c2)cc(OC)c1.
What is the InChIKey of N-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]methylsulfonyl]phenyl]-4-oxopentanamide?
The InChIKey is XFDIZCWQRQDUNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N4O6S/c1-18(33)11-12-27(34)29-19-7-6-8-23(15-19)39(35,36)17-26-28(32-25-10-5-4-9-24(25)31-26)30-20-13-21(37-2)16-22(14-20)38-3/h4-10,13-16H,11-12,17H2,1-3H3,(H,29,34)(H,30,32).
What are the key properties of N-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]methylsulfonyl]phenyl]-4-oxopentanamide?
N-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]methylsulfonyl]phenyl]-4-oxopentanamide has a molecular weight of 548.62 g/mol, XLogP of 4.67, 11 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]methylsulfonyl]phenyl]-4-oxopentanamide is sourced from PubChem (CID 58274510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).