2-[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]-4-propan-2-yloxybenzenesulfonamide

C25H26N4O5S — CID 69084132

IUPAC2-[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]-4-propan-2-yloxybenzenesulfonamide
SMILESCOc1cc(Nc2nc3ccccc3nc2-c2cc(OC(C)C)ccc2S(N)(=O)=O)cc(OC)c1
InChIInChI=1S/C25H26N4O5S/c1-15(2)34-17-9-10-23(35(26,30)31)20(14-17)24-25(29-22-8-6-5-7-21(22)28-24)27-16-11-18(32-3)13-19(12-16)33-4/h5-15H,1-4H3,(H,27,29)(H2,26,30,31)
InChIKeySPDTWHDWXFWRSI-UHFFFAOYSA-N
MW494.57 g/mol
LogP4.49
Rot. Bonds8

About 2-[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]-4-propan-2-yloxybenzenesulfonamide

2-[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]-4-propan-2-yloxybenzenesulfonamide (PubChem CID 69084132) has the molecular formula C25H26N4O5S and a molecular weight of 494.57 g/mol. Its IUPAC name is 2-[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]-4-propan-2-yloxybenzenesulfonamide.

Molecular Properties

Compound Name2-[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]-4-propan-2-yloxybenzenesulfonamide
PubChem CID69084132
Molecular FormulaC25H26N4O5S
Molecular Weight494.57 g/mol
Exact Mass494.16
IUPAC Name2-[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]-4-propan-2-yloxybenzenesulfonamide
SMILESCOc1cc(Nc2nc3ccccc3nc2-c2cc(OC(C)C)ccc2S(N)(=O)=O)cc(OC)c1
InChIInChI=1S/C25H26N4O5S/c1-15(2)34-17-9-10-23(35(26,30)31)20(14-17)24-25(29-22-8-6-5-7-21(22)28-24)27-16-11-18(32-3)13-19(12-16)33-4/h5-15H,1-4H3,(H,27,29)(H2,26,30,31)
InChIKeySPDTWHDWXFWRSI-UHFFFAOYSA-N
XLogP4.49
TPSA125.66 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.57
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

3-[3-(2-chloro-5-methoxyanilino)quinoxalin-2-yl]-2-methylbenzenesulfonamide
CID 68745683
N-[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]-2-(propan-2-ylamino)benzenesulfonamide
CID 174548611
methyl 2-[4-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]propanoate
CID 141170275
1-[4-[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]phenyl]ethanone
CID 68882323
(2S)-N-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-2-(methylamino)propanamide
CID 59249193
2-N-(3,5-dimethoxyphenyl)-3-N,3-N-dimethylquinoxaline-2,3-diamine
CID 68879668
N-[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]-3,4-dimethylbenzenesulfonamide
CID 1402865
3-benzylsulfonyl-N-(3,5-dimethoxyphenyl)quinoxalin-2-amine
CID 141211320
4-amino-2-(3-chloroquinoxalin-2-yl)benzenesulfonamide
CID 154158256
4-methoxy-2-propan-2-yloxybenzenesulfonamide
CID 69224497
3-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-3-(4-methoxyphenyl)propanamide
CID 90796373
N-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-3-methoxybenzamide
CID 57448571

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]-4-propan-2-yloxybenzenesulfonamide?
The IUPAC name of 2-[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]-4-propan-2-yloxybenzenesulfonamide (CID 69084132) is 2-[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]-4-propan-2-yloxybenzenesulfonamide.
What is the SMILES notation for 2-[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]-4-propan-2-yloxybenzenesulfonamide?
The canonical SMILES for 2-[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]-4-propan-2-yloxybenzenesulfonamide is COc1cc(Nc2nc3ccccc3nc2-c2cc(OC(C)C)ccc2S(N)(=O)=O)cc(OC)c1.
What is the InChIKey of 2-[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]-4-propan-2-yloxybenzenesulfonamide?
The InChIKey is SPDTWHDWXFWRSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O5S/c1-15(2)34-17-9-10-23(35(26,30)31)20(14-17)24-25(29-22-8-6-5-7-21(22)28-24)27-16-11-18(32-3)13-19(12-16)33-4/h5-15H,1-4H3,(H,27,29)(H2,26,30,31).
What are the key properties of 2-[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]-4-propan-2-yloxybenzenesulfonamide?
2-[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]-4-propan-2-yloxybenzenesulfonamide has a molecular weight of 494.57 g/mol, XLogP of 4.49, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]-4-propan-2-yloxybenzenesulfonamide is sourced from PubChem (CID 69084132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).