N-[3-[2-(3,4-dimethoxyphenyl)ethylamino]quinoxalin-2-yl]-4-methylbenzenesulfonamide

C25H26N4O4S — CID 2921932

IUPACN-[3-[2-(3,4-dimethoxyphenyl)ethylamino]quinoxalin-2-yl]-4-methylbenzenesulfonamide
SMILESCOc1ccc(CCNc2nc3ccccc3nc2NS(=O)(=O)c2ccc(C)cc2)cc1OC
InChIInChI=1S/C25H26N4O4S/c1-17-8-11-19(12-9-17)34(30,31)29-25-24(27-20-6-4-5-7-21(20)28-25)26-15-14-18-10-13-22(32-2)23(16-18)33-3/h4-13,16H,14-15H2,1-3H3,(H,26,27)(H,28,29)
InChIKeyLGDKRQKRHKUFDG-UHFFFAOYSA-N
MW478.57 g/mol
LogP4.41
Rot. Bonds9

About N-[3-[2-(3,4-dimethoxyphenyl)ethylamino]quinoxalin-2-yl]-4-methylbenzenesulfonamide

N-[3-[2-(3,4-dimethoxyphenyl)ethylamino]quinoxalin-2-yl]-4-methylbenzenesulfonamide (PubChem CID 2921932) has the molecular formula C25H26N4O4S and a molecular weight of 478.57 g/mol. Its IUPAC name is N-[3-[2-(3,4-dimethoxyphenyl)ethylamino]quinoxalin-2-yl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-[2-(3,4-dimethoxyphenyl)ethylamino]quinoxalin-2-yl]-4-methylbenzenesulfonamide
PubChem CID2921932
Molecular FormulaC25H26N4O4S
Molecular Weight478.57 g/mol
Exact Mass478.17
IUPAC NameN-[3-[2-(3,4-dimethoxyphenyl)ethylamino]quinoxalin-2-yl]-4-methylbenzenesulfonamide
SMILESCOc1ccc(CCNc2nc3ccccc3nc2NS(=O)(=O)c2ccc(C)cc2)cc1OC
InChIInChI=1S/C25H26N4O4S/c1-17-8-11-19(12-9-17)34(30,31)29-25-24(27-20-6-4-5-7-21(20)28-25)26-15-14-18-10-13-22(32-2)23(16-18)33-3/h4-13,16H,14-15H2,1-3H3,(H,26,27)(H,28,29)
InChIKeyLGDKRQKRHKUFDG-UHFFFAOYSA-N
XLogP4.41
TPSA102.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.57
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-[2-(3,4-dimethoxyphenyl)ethylamino]quinoxalin-2-yl]-4-methoxybenzenesulfonamide
CID 1405616
4-methyl-N-[3-(pentylamino)quinoxalin-2-yl]benzenesulfonamide
CID 3340734
N-[3-[2-[4-(hydroxymethyl)phenyl]ethylamino]quinoxalin-2-yl]benzenesulfonamide
CID 133434691
4-methoxy-N-[3-(4-methylanilino)quinoxalin-2-yl]benzenesulfonamide
CID 1398612
N-[3-[(4-methoxyphenyl)methylamino]quinoxalin-2-yl]benzenesulfonamide
CID 2002654
3-methyl-N-[3-[(4-methylphenyl)methylamino]quinoxalin-2-yl]benzenesulfonamide
CID 1392277
2-N,3-N-bis[2-(4-methoxyphenyl)ethyl]quinoxaline-2,3-diamine
CID 1023772
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]-1,3-thiazole-5-carboxamide
CID 16944828
4-fluoro-N-[3-[(4-methoxyphenyl)methylamino]quinoxalin-2-yl]benzenesulfonamide
CID 1385919
N-[3-(3,4-dimethylanilino)quinoxalin-2-yl]-4-methoxybenzenesulfonamide
CID 1383356
2-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-propylquinazoline-2,4-diamine
CID 91966287
N-[3-(3,5-dichloroanilino)quinoxalin-2-yl]-4-methylbenzenesulfonamide
CID 3699494

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(3,4-dimethoxyphenyl)ethylamino]quinoxalin-2-yl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[3-[2-(3,4-dimethoxyphenyl)ethylamino]quinoxalin-2-yl]-4-methylbenzenesulfonamide (CID 2921932) is N-[3-[2-(3,4-dimethoxyphenyl)ethylamino]quinoxalin-2-yl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[3-[2-(3,4-dimethoxyphenyl)ethylamino]quinoxalin-2-yl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[3-[2-(3,4-dimethoxyphenyl)ethylamino]quinoxalin-2-yl]-4-methylbenzenesulfonamide is COc1ccc(CCNc2nc3ccccc3nc2NS(=O)(=O)c2ccc(C)cc2)cc1OC.
What is the InChIKey of N-[3-[2-(3,4-dimethoxyphenyl)ethylamino]quinoxalin-2-yl]-4-methylbenzenesulfonamide?
The InChIKey is LGDKRQKRHKUFDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O4S/c1-17-8-11-19(12-9-17)34(30,31)29-25-24(27-20-6-4-5-7-21(20)28-25)26-15-14-18-10-13-22(32-2)23(16-18)33-3/h4-13,16H,14-15H2,1-3H3,(H,26,27)(H,28,29).
What are the key properties of N-[3-[2-(3,4-dimethoxyphenyl)ethylamino]quinoxalin-2-yl]-4-methylbenzenesulfonamide?
N-[3-[2-(3,4-dimethoxyphenyl)ethylamino]quinoxalin-2-yl]-4-methylbenzenesulfonamide has a molecular weight of 478.57 g/mol, XLogP of 4.41, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(3,4-dimethoxyphenyl)ethylamino]quinoxalin-2-yl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 2921932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).