N-(3,5-dimethoxyphenyl)-3-[[3-(methylamino)phenyl]sulfonylmethyl]quinoxalin-2-amine

C24H24N4O4S — CID 58274304

IUPACN-(3,5-dimethoxyphenyl)-3-[[3-(methylamino)phenyl]sulfonylmethyl]quinoxalin-2-amine
SMILESCNc1cccc(S(=O)(=O)Cc2nc3ccccc3nc2Nc2cc(OC)cc(OC)c2)c1
InChIInChI=1S/C24H24N4O4S/c1-25-16-7-6-8-20(13-16)33(29,30)15-23-24(28-22-10-5-4-9-21(22)27-23)26-17-11-18(31-2)14-19(12-17)32-3/h4-14,25H,15H2,1-3H3,(H,26,28)
InChIKeySGJJMFQKQGZTPO-UHFFFAOYSA-N
MW464.55 g/mol
LogP4.41
Rot. Bonds8

About N-(3,5-dimethoxyphenyl)-3-[[3-(methylamino)phenyl]sulfonylmethyl]quinoxalin-2-amine

N-(3,5-dimethoxyphenyl)-3-[[3-(methylamino)phenyl]sulfonylmethyl]quinoxalin-2-amine (PubChem CID 58274304) has the molecular formula C24H24N4O4S and a molecular weight of 464.55 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-3-[[3-(methylamino)phenyl]sulfonylmethyl]quinoxalin-2-amine.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-3-[[3-(methylamino)phenyl]sulfonylmethyl]quinoxalin-2-amine
PubChem CID58274304
Molecular FormulaC24H24N4O4S
Molecular Weight464.55 g/mol
Exact Mass464.15
IUPAC NameN-(3,5-dimethoxyphenyl)-3-[[3-(methylamino)phenyl]sulfonylmethyl]quinoxalin-2-amine
SMILESCNc1cccc(S(=O)(=O)Cc2nc3ccccc3nc2Nc2cc(OC)cc(OC)c2)c1
InChIInChI=1S/C24H24N4O4S/c1-25-16-7-6-8-20(13-16)33(29,30)15-23-24(28-22-10-5-4-9-21(22)27-23)26-17-11-18(31-2)14-19(12-17)32-3/h4-14,25H,15H2,1-3H3,(H,26,28)
InChIKeySGJJMFQKQGZTPO-UHFFFAOYSA-N
XLogP4.41
TPSA102.44 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.55
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]methylsulfonyl]phenyl]-4-oxopentanamide
CID 58274510
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-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]methylsulfonyl]phenyl]-1-(1-methylpyrrol-2-yl)ethanone
CID 58274231
N-[3-[[3-(3,5-dimethoxyphenoxy)quinoxalin-2-yl]methylsulfonyl]phenyl]hydroxylamine
CID 152888652
N-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]methoxy]-N-methoxybenzenesulfonamide
CID 140566854
3-benzylsulfonyl-N-(3,5-dimethoxyphenyl)quinoxalin-2-amine
CID 141211320
2-bromo-N-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide
CID 59249165
(2S)-N-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-2-(methylamino)propanamide
CID 59249193
N-[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]-N-(trifluoromethyl)benzenesulfonamide
CID 151992282
2-N-(3,5-dimethoxyphenyl)-3-N-[4-(methylamino)phenoxy]quinoxaline-2,3-diamine
CID 145134762
4-[[3-(2,5-dimethoxy-3-methylanilino)quinoxalin-2-yl]methylsulfonyl]-N,N-dimethylbenzamide
CID 149259706

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-3-[[3-(methylamino)phenyl]sulfonylmethyl]quinoxalin-2-amine?
The IUPAC name of N-(3,5-dimethoxyphenyl)-3-[[3-(methylamino)phenyl]sulfonylmethyl]quinoxalin-2-amine (CID 58274304) is N-(3,5-dimethoxyphenyl)-3-[[3-(methylamino)phenyl]sulfonylmethyl]quinoxalin-2-amine.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-3-[[3-(methylamino)phenyl]sulfonylmethyl]quinoxalin-2-amine?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-3-[[3-(methylamino)phenyl]sulfonylmethyl]quinoxalin-2-amine is CNc1cccc(S(=O)(=O)Cc2nc3ccccc3nc2Nc2cc(OC)cc(OC)c2)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-3-[[3-(methylamino)phenyl]sulfonylmethyl]quinoxalin-2-amine?
The InChIKey is SGJJMFQKQGZTPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O4S/c1-25-16-7-6-8-20(13-16)33(29,30)15-23-24(28-22-10-5-4-9-21(22)27-23)26-17-11-18(31-2)14-19(12-17)32-3/h4-14,25H,15H2,1-3H3,(H,26,28).
What are the key properties of N-(3,5-dimethoxyphenyl)-3-[[3-(methylamino)phenyl]sulfonylmethyl]quinoxalin-2-amine?
N-(3,5-dimethoxyphenyl)-3-[[3-(methylamino)phenyl]sulfonylmethyl]quinoxalin-2-amine has a molecular weight of 464.55 g/mol, XLogP of 4.41, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-3-[[3-(methylamino)phenyl]sulfonylmethyl]quinoxalin-2-amine is sourced from PubChem (CID 58274304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).