N-[3-[5-methoxy-2-(2-methylsulfonylethyl)anilino]quinoxalin-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

C23H25N5O6S2 — CID 24992146

IUPACN-[3-[5-methoxy-2-(2-methylsulfonylethyl)anilino]quinoxalin-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCOc1ccc(CCS(C)(=O)=O)c(Nc2nc3ccccc3nc2NS(=O)(=O)c2c(C)noc2C)c1
InChIInChI=1S/C23H25N5O6S2/c1-14-21(15(2)34-27-14)36(31,32)28-23-22(24-18-7-5-6-8-19(18)25-23)26-20-13-17(33-3)10-9-16(20)11-12-35(4,29)30/h5-10,13H,11-12H2,1-4H3,(H,24,26)(H,25,28)
InChIKeyCRNCXDYHOGTLFU-UHFFFAOYSA-N
MW531.62 g/mol
LogP3.37
Rot. Bonds9

About N-[3-[5-methoxy-2-(2-methylsulfonylethyl)anilino]quinoxalin-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

N-[3-[5-methoxy-2-(2-methylsulfonylethyl)anilino]quinoxalin-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (PubChem CID 24992146) has the molecular formula C23H25N5O6S2 and a molecular weight of 531.62 g/mol. Its IUPAC name is N-[3-[5-methoxy-2-(2-methylsulfonylethyl)anilino]quinoxalin-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-[3-[5-methoxy-2-(2-methylsulfonylethyl)anilino]quinoxalin-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
PubChem CID24992146
Molecular FormulaC23H25N5O6S2
Molecular Weight531.62 g/mol
Exact Mass531.12
IUPAC NameN-[3-[5-methoxy-2-(2-methylsulfonylethyl)anilino]quinoxalin-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCOc1ccc(CCS(C)(=O)=O)c(Nc2nc3ccccc3nc2NS(=O)(=O)c2c(C)noc2C)c1
InChIInChI=1S/C23H25N5O6S2/c1-14-21(15(2)34-27-14)36(31,32)28-23-22(24-18-7-5-6-8-19(18)25-23)26-20-13-17(33-3)10-9-16(20)11-12-35(4,29)30/h5-10,13H,11-12H2,1-4H3,(H,24,26)(H,25,28)
InChIKeyCRNCXDYHOGTLFU-UHFFFAOYSA-N
XLogP3.37
TPSA153.38 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500531.62
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze N-[3-[5-methoxy-2-(2-methylsulfonylethyl)anilino]quinoxalin-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-methoxy-2-(2-methylsulfonylethyl)anilino]quinoxalin-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-[3-[5-methoxy-2-(2-methylsulfonylethyl)anilino]quinoxalin-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (CID 24992146) is N-[3-[5-methoxy-2-(2-methylsulfonylethyl)anilino]quinoxalin-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-[3-[5-methoxy-2-(2-methylsulfonylethyl)anilino]quinoxalin-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-[3-[5-methoxy-2-(2-methylsulfonylethyl)anilino]quinoxalin-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is COc1ccc(CCS(C)(=O)=O)c(Nc2nc3ccccc3nc2NS(=O)(=O)c2c(C)noc2C)c1.
What is the InChIKey of N-[3-[5-methoxy-2-(2-methylsulfonylethyl)anilino]quinoxalin-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The InChIKey is CRNCXDYHOGTLFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O6S2/c1-14-21(15(2)34-27-14)36(31,32)28-23-22(24-18-7-5-6-8-19(18)25-23)26-20-13-17(33-3)10-9-16(20)11-12-35(4,29)30/h5-10,13H,11-12H2,1-4H3,(H,24,26)(H,25,28).
What are the key properties of N-[3-[5-methoxy-2-(2-methylsulfonylethyl)anilino]quinoxalin-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
N-[3-[5-methoxy-2-(2-methylsulfonylethyl)anilino]quinoxalin-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide has a molecular weight of 531.62 g/mol, XLogP of 3.37, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-methoxy-2-(2-methylsulfonylethyl)anilino]quinoxalin-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 24992146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).