N-[3-[5-methoxy-2-(2-methoxyethyl)anilino]quinoxalin-2-yl]-1-methylimidazole-4-sulfonamide

C22H24N6O4S — CID 59352987

IUPACN-[3-[5-methoxy-2-(2-methoxyethyl)anilino]quinoxalin-2-yl]-1-methylimidazole-4-sulfonamide
SMILESCOCCc1ccc(OC)cc1Nc1nc2ccccc2nc1NS(=O)(=O)c1cn(C)cn1
InChIInChI=1S/C22H24N6O4S/c1-28-13-20(23-14-28)33(29,30)27-22-21(24-17-6-4-5-7-18(17)25-22)26-19-12-16(32-3)9-8-15(19)10-11-31-2/h4-9,12-14H,10-11H2,1-3H3,(H,24,26)(H,25,27)
InChIKeyMADLHLPPEYWGCB-UHFFFAOYSA-N
MW468.54 g/mol
LogP3.11
Rot. Bonds9

About N-[3-[5-methoxy-2-(2-methoxyethyl)anilino]quinoxalin-2-yl]-1-methylimidazole-4-sulfonamide

N-[3-[5-methoxy-2-(2-methoxyethyl)anilino]quinoxalin-2-yl]-1-methylimidazole-4-sulfonamide (PubChem CID 59352987) has the molecular formula C22H24N6O4S and a molecular weight of 468.54 g/mol. Its IUPAC name is N-[3-[5-methoxy-2-(2-methoxyethyl)anilino]quinoxalin-2-yl]-1-methylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-[3-[5-methoxy-2-(2-methoxyethyl)anilino]quinoxalin-2-yl]-1-methylimidazole-4-sulfonamide
PubChem CID59352987
Molecular FormulaC22H24N6O4S
Molecular Weight468.54 g/mol
Exact Mass468.16
IUPAC NameN-[3-[5-methoxy-2-(2-methoxyethyl)anilino]quinoxalin-2-yl]-1-methylimidazole-4-sulfonamide
SMILESCOCCc1ccc(OC)cc1Nc1nc2ccccc2nc1NS(=O)(=O)c1cn(C)cn1
InChIInChI=1S/C22H24N6O4S/c1-28-13-20(23-14-28)33(29,30)27-22-21(24-17-6-4-5-7-18(17)25-22)26-19-12-16(32-3)9-8-15(19)10-11-31-2/h4-9,12-14H,10-11H2,1-3H3,(H,24,26)(H,25,27)
InChIKeyMADLHLPPEYWGCB-UHFFFAOYSA-N
XLogP3.11
TPSA120.26 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.54
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[3-[5-methoxy-2-(2-methoxyethyl)anilino]quinoxalin-2-yl]-1-methylimidazole-4-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-methoxy-2-(2-methoxyethyl)anilino]quinoxalin-2-yl]-1-methylimidazole-4-sulfonamide?
The IUPAC name of N-[3-[5-methoxy-2-(2-methoxyethyl)anilino]quinoxalin-2-yl]-1-methylimidazole-4-sulfonamide (CID 59352987) is N-[3-[5-methoxy-2-(2-methoxyethyl)anilino]quinoxalin-2-yl]-1-methylimidazole-4-sulfonamide.
What is the SMILES notation for N-[3-[5-methoxy-2-(2-methoxyethyl)anilino]quinoxalin-2-yl]-1-methylimidazole-4-sulfonamide?
The canonical SMILES for N-[3-[5-methoxy-2-(2-methoxyethyl)anilino]quinoxalin-2-yl]-1-methylimidazole-4-sulfonamide is COCCc1ccc(OC)cc1Nc1nc2ccccc2nc1NS(=O)(=O)c1cn(C)cn1.
What is the InChIKey of N-[3-[5-methoxy-2-(2-methoxyethyl)anilino]quinoxalin-2-yl]-1-methylimidazole-4-sulfonamide?
The InChIKey is MADLHLPPEYWGCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O4S/c1-28-13-20(23-14-28)33(29,30)27-22-21(24-17-6-4-5-7-18(17)25-22)26-19-12-16(32-3)9-8-15(19)10-11-31-2/h4-9,12-14H,10-11H2,1-3H3,(H,24,26)(H,25,27).
What are the key properties of N-[3-[5-methoxy-2-(2-methoxyethyl)anilino]quinoxalin-2-yl]-1-methylimidazole-4-sulfonamide?
N-[3-[5-methoxy-2-(2-methoxyethyl)anilino]quinoxalin-2-yl]-1-methylimidazole-4-sulfonamide has a molecular weight of 468.54 g/mol, XLogP of 3.11, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-methoxy-2-(2-methoxyethyl)anilino]quinoxalin-2-yl]-1-methylimidazole-4-sulfonamide is sourced from PubChem (CID 59352987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).