N-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]-1-methylpiperidine-4-carboxamide

C23H28N6O5S — CID 91386046

IUPACN-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]-1-methylpiperidine-4-carboxamide
SMILESCOc1cc(Nc2nc3ccccc3nc2NS(=O)(=O)NC(=O)C2CCN(C)CC2)cc(OC)c1
InChIInChI=1S/C23H28N6O5S/c1-29-10-8-15(9-11-29)23(30)28-35(31,32)27-22-21(25-19-6-4-5-7-20(19)26-22)24-16-12-17(33-2)14-18(13-16)34-3/h4-7,12-15H,8-11H2,1-3H3,(H,24,25)(H,26,27)(H,28,30)
InChIKeyPRKMGLOVDNDALJ-UHFFFAOYSA-N
MW500.58 g/mol
LogP2.51
Rot. Bonds8

About N-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]-1-methylpiperidine-4-carboxamide

N-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]-1-methylpiperidine-4-carboxamide (PubChem CID 91386046) has the molecular formula C23H28N6O5S and a molecular weight of 500.58 g/mol. Its IUPAC name is N-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]-1-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]-1-methylpiperidine-4-carboxamide
PubChem CID91386046
Molecular FormulaC23H28N6O5S
Molecular Weight500.58 g/mol
Exact Mass500.18
IUPAC NameN-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]-1-methylpiperidine-4-carboxamide
SMILESCOc1cc(Nc2nc3ccccc3nc2NS(=O)(=O)NC(=O)C2CCN(C)CC2)cc(OC)c1
InChIInChI=1S/C23H28N6O5S/c1-29-10-8-15(9-11-29)23(30)28-35(31,32)27-22-21(25-19-6-4-5-7-20(19)26-22)24-16-12-17(33-2)14-18(13-16)34-3/h4-7,12-15H,8-11H2,1-3H3,(H,24,25)(H,26,27)(H,28,30)
InChIKeyPRKMGLOVDNDALJ-UHFFFAOYSA-N
XLogP2.51
TPSA134.78 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.58
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

N-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-2-[methyl-(1-methylpyrrolidin-3-yl)amino]acetamide
CID 59249158
N-[[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]methyl]piperidine-4-carboxamide
CID 69010753
1-(cyclopropanecarbonyl)-N-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]azetidine-3-carboxamide
CID 57448509
(2S)-N-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]pyrrolidine-2-carboxamide
CID 57448471
(2R)-N-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 66617453
N-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 66617454
N-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-2-(4-methylpiperidin-1-yl)acetamide
CID 57448552
N-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-2-[4-(methylamino)piperidin-1-yl]acetamide
CID 57448504
N-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-2-(2-methylpyrrolidin-1-yl)acetamide
CID 57448518
2-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-2-(2-methylpyrrolidin-1-yl)acetamide
CID 68793536
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

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]-1-methylpiperidine-4-carboxamide?
The IUPAC name of N-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]-1-methylpiperidine-4-carboxamide (CID 91386046) is N-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]-1-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]-1-methylpiperidine-4-carboxamide?
The canonical SMILES for N-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]-1-methylpiperidine-4-carboxamide is COc1cc(Nc2nc3ccccc3nc2NS(=O)(=O)NC(=O)C2CCN(C)CC2)cc(OC)c1.
What is the InChIKey of N-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]-1-methylpiperidine-4-carboxamide?
The InChIKey is PRKMGLOVDNDALJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O5S/c1-29-10-8-15(9-11-29)23(30)28-35(31,32)27-22-21(25-19-6-4-5-7-20(19)26-22)24-16-12-17(33-2)14-18(13-16)34-3/h4-7,12-15H,8-11H2,1-3H3,(H,24,25)(H,26,27)(H,28,30).
What are the key properties of N-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]-1-methylpiperidine-4-carboxamide?
N-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]-1-methylpiperidine-4-carboxamide has a molecular weight of 500.58 g/mol, XLogP of 2.51, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]-1-methylpiperidine-4-carboxamide is sourced from PubChem (CID 91386046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).