2-[(dimethylamino)methyl]-N-[3-[5-methoxy-2-(2-methylsulfonylethyl)anilino]quinoxalin-2-yl]-1-methylimidazole-4-sulfonamide

C25H31N7O5S2 — CID 59353015

IUPAC2-[(dimethylamino)methyl]-N-[3-[5-methoxy-2-(2-methylsulfonylethyl)anilino]quinoxalin-2-yl]-1-methylimidazole-4-sulfonamide
SMILESCOc1ccc(CCS(C)(=O)=O)c(Nc2nc3ccccc3nc2NS(=O)(=O)c2cn(C)c(CN(C)C)n2)c1
InChIInChI=1S/C25H31N7O5S2/c1-31(2)15-22-29-23(16-32(22)3)39(35,36)30-25-24(26-19-8-6-7-9-20(19)27-25)28-21-14-18(37-4)11-10-17(21)12-13-38(5,33)34/h6-11,14,16H,12-13,15H2,1-5H3,(H,26,28)(H,27,30)
InChIKeyMOZQKIROXCTUPJ-UHFFFAOYSA-N
MW573.70 g/mol
LogP2.57
Rot. Bonds11

About 2-[(dimethylamino)methyl]-N-[3-[5-methoxy-2-(2-methylsulfonylethyl)anilino]quinoxalin-2-yl]-1-methylimidazole-4-sulfonamide

2-[(dimethylamino)methyl]-N-[3-[5-methoxy-2-(2-methylsulfonylethyl)anilino]quinoxalin-2-yl]-1-methylimidazole-4-sulfonamide (PubChem CID 59353015) has the molecular formula C25H31N7O5S2 and a molecular weight of 573.70 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]-N-[3-[5-methoxy-2-(2-methylsulfonylethyl)anilino]quinoxalin-2-yl]-1-methylimidazole-4-sulfonamide.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]-N-[3-[5-methoxy-2-(2-methylsulfonylethyl)anilino]quinoxalin-2-yl]-1-methylimidazole-4-sulfonamide
PubChem CID59353015
Molecular FormulaC25H31N7O5S2
Molecular Weight573.70 g/mol
Exact Mass573.18
IUPAC Name2-[(dimethylamino)methyl]-N-[3-[5-methoxy-2-(2-methylsulfonylethyl)anilino]quinoxalin-2-yl]-1-methylimidazole-4-sulfonamide
SMILESCOc1ccc(CCS(C)(=O)=O)c(Nc2nc3ccccc3nc2NS(=O)(=O)c2cn(C)c(CN(C)C)n2)c1
InChIInChI=1S/C25H31N7O5S2/c1-31(2)15-22-29-23(16-32(22)3)39(35,36)30-25-24(26-19-8-6-7-9-20(19)27-25)28-21-14-18(37-4)11-10-17(21)12-13-38(5,33)34/h6-11,14,16H,12-13,15H2,1-5H3,(H,26,28)(H,27,30)
InChIKeyMOZQKIROXCTUPJ-UHFFFAOYSA-N
XLogP2.57
TPSA148.41 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds11
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.70
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze 2-[(dimethylamino)methyl]-N-[3-[5-methoxy-2-(2-methylsulfonylethyl)anilino]quinoxalin-2-yl]-1-methylimidazole-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 2-[(dimethylamino)methyl]-N-[3-[5-methoxy-2-(2-methylsulfonylethyl)anilino]quinoxalin-2-yl]-1-methylimidazole-4-sulfonamide?
The IUPAC name of 2-[(dimethylamino)methyl]-N-[3-[5-methoxy-2-(2-methylsulfonylethyl)anilino]quinoxalin-2-yl]-1-methylimidazole-4-sulfonamide (CID 59353015) is 2-[(dimethylamino)methyl]-N-[3-[5-methoxy-2-(2-methylsulfonylethyl)anilino]quinoxalin-2-yl]-1-methylimidazole-4-sulfonamide.
What is the SMILES notation for 2-[(dimethylamino)methyl]-N-[3-[5-methoxy-2-(2-methylsulfonylethyl)anilino]quinoxalin-2-yl]-1-methylimidazole-4-sulfonamide?
The canonical SMILES for 2-[(dimethylamino)methyl]-N-[3-[5-methoxy-2-(2-methylsulfonylethyl)anilino]quinoxalin-2-yl]-1-methylimidazole-4-sulfonamide is COc1ccc(CCS(C)(=O)=O)c(Nc2nc3ccccc3nc2NS(=O)(=O)c2cn(C)c(CN(C)C)n2)c1.
What is the InChIKey of 2-[(dimethylamino)methyl]-N-[3-[5-methoxy-2-(2-methylsulfonylethyl)anilino]quinoxalin-2-yl]-1-methylimidazole-4-sulfonamide?
The InChIKey is MOZQKIROXCTUPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N7O5S2/c1-31(2)15-22-29-23(16-32(22)3)39(35,36)30-25-24(26-19-8-6-7-9-20(19)27-25)28-21-14-18(37-4)11-10-17(21)12-13-38(5,33)34/h6-11,14,16H,12-13,15H2,1-5H3,(H,26,28)(H,27,30).
What are the key properties of 2-[(dimethylamino)methyl]-N-[3-[5-methoxy-2-(2-methylsulfonylethyl)anilino]quinoxalin-2-yl]-1-methylimidazole-4-sulfonamide?
2-[(dimethylamino)methyl]-N-[3-[5-methoxy-2-(2-methylsulfonylethyl)anilino]quinoxalin-2-yl]-1-methylimidazole-4-sulfonamide has a molecular weight of 573.70 g/mol, XLogP of 2.57, 11 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylamino)methyl]-N-[3-[5-methoxy-2-(2-methylsulfonylethyl)anilino]quinoxalin-2-yl]-1-methylimidazole-4-sulfonamide is sourced from PubChem (CID 59353015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).