N-[3-[2-(3-hydroxybutoxy)-3,5-dimethoxyanilino]quinoxalin-2-yl]methanesulfonamide

C21H26N4O6S — CID 56966186

IUPACN-[3-[2-(3-hydroxybutoxy)-3,5-dimethoxyanilino]quinoxalin-2-yl]methanesulfonamide
SMILESCOc1cc(Nc2nc3ccccc3nc2NS(C)(=O)=O)c(OCCC(C)O)c(OC)c1
InChIInChI=1S/C21H26N4O6S/c1-13(26)9-10-31-19-17(11-14(29-2)12-18(19)30-3)24-20-21(25-32(4,27)28)23-16-8-6-5-7-15(16)22-20/h5-8,11-13,26H,9-10H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyGYDOPGOWSWFBDV-UHFFFAOYSA-N
MW462.53 g/mol
LogP2.91
Rot. Bonds10

About N-[3-[2-(3-hydroxybutoxy)-3,5-dimethoxyanilino]quinoxalin-2-yl]methanesulfonamide

N-[3-[2-(3-hydroxybutoxy)-3,5-dimethoxyanilino]quinoxalin-2-yl]methanesulfonamide (PubChem CID 56966186) has the molecular formula C21H26N4O6S and a molecular weight of 462.53 g/mol. Its IUPAC name is N-[3-[2-(3-hydroxybutoxy)-3,5-dimethoxyanilino]quinoxalin-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[2-(3-hydroxybutoxy)-3,5-dimethoxyanilino]quinoxalin-2-yl]methanesulfonamide
PubChem CID56966186
Molecular FormulaC21H26N4O6S
Molecular Weight462.53 g/mol
Exact Mass462.16
IUPAC NameN-[3-[2-(3-hydroxybutoxy)-3,5-dimethoxyanilino]quinoxalin-2-yl]methanesulfonamide
SMILESCOc1cc(Nc2nc3ccccc3nc2NS(C)(=O)=O)c(OCCC(C)O)c(OC)c1
InChIInChI=1S/C21H26N4O6S/c1-13(26)9-10-31-19-17(11-14(29-2)12-18(19)30-3)24-20-21(25-32(4,27)28)23-16-8-6-5-7-15(16)22-20/h5-8,11-13,26H,9-10H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyGYDOPGOWSWFBDV-UHFFFAOYSA-N
XLogP2.91
TPSA131.90 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.53
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze N-[3-[2-(3-hydroxybutoxy)-3,5-dimethoxyanilino]quinoxalin-2-yl]methanesulfonamide 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

2-N,3-N-bis(2,3-dimethoxyphenyl)quinoxaline-2,3-diamine
CID 172456219
1,1,1-trifluoro-N-[3-[2-(3-hydroxypropoxy)-3,5-dimethoxyanilino]quinoxalin-2-yl]methanesulfonamide
CID 56966622
1,1,1-trifluoro-N-[3-(2,3,5-trimethoxyanilino)quinoxalin-2-yl]methanesulfonamide
CID 56966623
1,1,1-trifluoro-N-[3-[2-[2-(2-hydroxyethoxy)ethoxy]-3,5-dimethoxyanilino]quinoxalin-2-yl]methanesulfonamide
CID 56966767
4-fluoro-N-[3-[2-[2-(2-hydroxyethoxy)ethoxy]-3,5-dimethoxyanilino]quinoxalin-2-yl]benzenesulfonamide
CID 56966771
3,4-difluoro-N-[3-[2-(3-hydroxypropoxy)-3,5-dimethoxyanilino]quinoxalin-2-yl]benzenesulfonamide
CID 56967053
3,4-difluoro-N-[3-[2-[2-(2-hydroxyethoxy)ethoxy]-3,5-dimethoxyanilino]quinoxalin-2-yl]benzenesulfonamide
CID 56967054
1,1-difluoro-N-[3-[2-(3-hydroxybutoxy)-3,5-dimethoxyanilino]quinoxalin-2-yl]methanesulfonamide
CID 56967293
4-[(3,3-difluoroazetidin-1-yl)methyl]-N-[3-[2-(3-hydroxypropoxy)-3,5-dimethoxyanilino]quinoxalin-2-yl]benzenesulfonamide
CID 67513911
1-(difluoromethyl)-N-[3-[2-(3-hydroxybutoxy)-3,5-dimethoxyanilino]quinoxalin-2-yl]pyrazole-4-sulfonamide
CID 68989070
1,1-difluoro-N-[3-[2-(3-hydroxypropoxy)-3,5-dimethoxyanilino]quinoxalin-2-yl]methanesulfonamide
CID 68989216
3-N-[5-(difluoromethoxy)-2,3-dimethoxyphenyl]quinoxaline-2,3-diamine
CID 89754946

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(3-hydroxybutoxy)-3,5-dimethoxyanilino]quinoxalin-2-yl]methanesulfonamide?
The IUPAC name of N-[3-[2-(3-hydroxybutoxy)-3,5-dimethoxyanilino]quinoxalin-2-yl]methanesulfonamide (CID 56966186) is N-[3-[2-(3-hydroxybutoxy)-3,5-dimethoxyanilino]quinoxalin-2-yl]methanesulfonamide.
What is the SMILES notation for N-[3-[2-(3-hydroxybutoxy)-3,5-dimethoxyanilino]quinoxalin-2-yl]methanesulfonamide?
The canonical SMILES for N-[3-[2-(3-hydroxybutoxy)-3,5-dimethoxyanilino]quinoxalin-2-yl]methanesulfonamide is COc1cc(Nc2nc3ccccc3nc2NS(C)(=O)=O)c(OCCC(C)O)c(OC)c1.
What is the InChIKey of N-[3-[2-(3-hydroxybutoxy)-3,5-dimethoxyanilino]quinoxalin-2-yl]methanesulfonamide?
The InChIKey is GYDOPGOWSWFBDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O6S/c1-13(26)9-10-31-19-17(11-14(29-2)12-18(19)30-3)24-20-21(25-32(4,27)28)23-16-8-6-5-7-15(16)22-20/h5-8,11-13,26H,9-10H2,1-4H3,(H,22,24)(H,23,25).
What are the key properties of N-[3-[2-(3-hydroxybutoxy)-3,5-dimethoxyanilino]quinoxalin-2-yl]methanesulfonamide?
N-[3-[2-(3-hydroxybutoxy)-3,5-dimethoxyanilino]quinoxalin-2-yl]methanesulfonamide has a molecular weight of 462.53 g/mol, XLogP of 2.91, 10 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(3-hydroxybutoxy)-3,5-dimethoxyanilino]quinoxalin-2-yl]methanesulfonamide is sourced from PubChem (CID 56966186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).