2-[4-[[1-(3-methylphenyl)-2H-imidazo[4,5-b]quinoxalin-3-yl]sulfonyl]phenyl]acetamide;2-[4-[(1-phenyl-2H-imidazo[4,5-b]quinoxalin-3-yl)sulfonyl]phenyl]acetamide

C47H40N10O6S2 — CID 87674161

IUPAC2-[4-[[1-(3-methylphenyl)-2H-imidazo[4,5-b]quinoxalin-3-yl]sulfonyl]phenyl]acetamide;2-[4-[(1-phenyl-2H-imidazo[4,5-b]quinoxalin-3-yl)sulfonyl]phenyl]acetamide
SMILESCc1cccc(N2CN(S(=O)(=O)c3ccc(CC(N)=O)cc3)c3nc4ccccc4nc32)c1.NC(=O)Cc1ccc(S(=O)(=O)N2CN(c3ccccc3)c3nc4ccccc4nc32)cc1
InChIInChI=1S/C24H21N5O3S.C23H19N5O3S/c1-16-5-4-6-18(13-16)28-15-29(24-23(28)26-20-7-2-3-8-21(20)27-24)33(31,32)19-11-9-17(10-12-19)14-22(25)30;24-21(29)14-16-10-12-18(13-11-16)32(30,31)28-15-27(17-6-2-1-3-7-17)22-23(28)26-20-9-5-4-8-19(20)25-22/h2-13H,14-15H2,1H3,(H2,25,30);1-13H,14-15H2,(H2,24,29)
InChIKeySRWGPFCTXSQVKS-UHFFFAOYSA-N
MW905.04 g/mol
LogP6.23
Rot. Bonds10

About 2-[4-[[1-(3-methylphenyl)-2H-imidazo[4,5-b]quinoxalin-3-yl]sulfonyl]phenyl]acetamide;2-[4-[(1-phenyl-2H-imidazo[4,5-b]quinoxalin-3-yl)sulfonyl]phenyl]acetamide

2-[4-[[1-(3-methylphenyl)-2H-imidazo[4,5-b]quinoxalin-3-yl]sulfonyl]phenyl]acetamide;2-[4-[(1-phenyl-2H-imidazo[4,5-b]quinoxalin-3-yl)sulfonyl]phenyl]acetamide (PubChem CID 87674161) has the molecular formula C47H40N10O6S2 and a molecular weight of 905.04 g/mol. Its IUPAC name is 2-[4-[[1-(3-methylphenyl)-2H-imidazo[4,5-b]quinoxalin-3-yl]sulfonyl]phenyl]acetamide;2-[4-[(1-phenyl-2H-imidazo[4,5-b]quinoxalin-3-yl)sulfonyl]phenyl]acetamide.

Molecular Properties

Compound Name2-[4-[[1-(3-methylphenyl)-2H-imidazo[4,5-b]quinoxalin-3-yl]sulfonyl]phenyl]acetamide;2-[4-[(1-phenyl-2H-imidazo[4,5-b]quinoxalin-3-yl)sulfonyl]phenyl]acetamide
PubChem CID87674161
Molecular FormulaC47H40N10O6S2
Molecular Weight905.04 g/mol
Exact Mass904.26
IUPAC Name2-[4-[[1-(3-methylphenyl)-2H-imidazo[4,5-b]quinoxalin-3-yl]sulfonyl]phenyl]acetamide;2-[4-[(1-phenyl-2H-imidazo[4,5-b]quinoxalin-3-yl)sulfonyl]phenyl]acetamide
SMILESCc1cccc(N2CN(S(=O)(=O)c3ccc(CC(N)=O)cc3)c3nc4ccccc4nc32)c1.NC(=O)Cc1ccc(S(=O)(=O)N2CN(c3ccccc3)c3nc4ccccc4nc32)cc1
InChIInChI=1S/C24H21N5O3S.C23H19N5O3S/c1-16-5-4-6-18(13-16)28-15-29(24-23(28)26-20-7-2-3-8-21(20)27-24)33(31,32)19-11-9-17(10-12-19)14-22(25)30;24-21(29)14-16-10-12-18(13-11-16)32(30,31)28-15-27(17-6-2-1-3-7-17)22-23(28)26-20-9-5-4-8-19(20)25-22/h2-13H,14-15H2,1H3,(H2,25,30);1-13H,14-15H2,(H2,24,29)
InChIKeySRWGPFCTXSQVKS-UHFFFAOYSA-N
XLogP6.23
TPSA218.98 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms65
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500905.04
LogP ≤ 56.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze 2-[4-[[1-(3-methylphenyl)-2H-imidazo[4,5-b]quinoxalin-3-yl]sulfonyl]phenyl]acetamide;2-[4-[(1-phenyl-2H-imidazo[4,5-b]quinoxalin-3-yl)sulfonyl]phenyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[1-(3-methylphenyl)-2H-imidazo[4,5-b]quinoxalin-3-yl]sulfonyl]phenyl]acetamide;2-[4-[(1-phenyl-2H-imidazo[4,5-b]quinoxalin-3-yl)sulfonyl]phenyl]acetamide?
The IUPAC name of 2-[4-[[1-(3-methylphenyl)-2H-imidazo[4,5-b]quinoxalin-3-yl]sulfonyl]phenyl]acetamide;2-[4-[(1-phenyl-2H-imidazo[4,5-b]quinoxalin-3-yl)sulfonyl]phenyl]acetamide (CID 87674161) is 2-[4-[[1-(3-methylphenyl)-2H-imidazo[4,5-b]quinoxalin-3-yl]sulfonyl]phenyl]acetamide;2-[4-[(1-phenyl-2H-imidazo[4,5-b]quinoxalin-3-yl)sulfonyl]phenyl]acetamide.
What is the SMILES notation for 2-[4-[[1-(3-methylphenyl)-2H-imidazo[4,5-b]quinoxalin-3-yl]sulfonyl]phenyl]acetamide;2-[4-[(1-phenyl-2H-imidazo[4,5-b]quinoxalin-3-yl)sulfonyl]phenyl]acetamide?
The canonical SMILES for 2-[4-[[1-(3-methylphenyl)-2H-imidazo[4,5-b]quinoxalin-3-yl]sulfonyl]phenyl]acetamide;2-[4-[(1-phenyl-2H-imidazo[4,5-b]quinoxalin-3-yl)sulfonyl]phenyl]acetamide is Cc1cccc(N2CN(S(=O)(=O)c3ccc(CC(N)=O)cc3)c3nc4ccccc4nc32)c1.NC(=O)Cc1ccc(S(=O)(=O)N2CN(c3ccccc3)c3nc4ccccc4nc32)cc1.
What is the InChIKey of 2-[4-[[1-(3-methylphenyl)-2H-imidazo[4,5-b]quinoxalin-3-yl]sulfonyl]phenyl]acetamide;2-[4-[(1-phenyl-2H-imidazo[4,5-b]quinoxalin-3-yl)sulfonyl]phenyl]acetamide?
The InChIKey is SRWGPFCTXSQVKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O3S.C23H19N5O3S/c1-16-5-4-6-18(13-16)28-15-29(24-23(28)26-20-7-2-3-8-21(20)27-24)33(31,32)19-11-9-17(10-12-19)14-22(25)30;24-21(29)14-16-10-12-18(13-11-16)32(30,31)28-15-27(17-6-2-1-3-7-17)22-23(28)26-20-9-5-4-8-19(20)25-22/h2-13H,14-15H2,1H3,(H2,25,30);1-13H,14-15H2,(H2,24,29).
What are the key properties of 2-[4-[[1-(3-methylphenyl)-2H-imidazo[4,5-b]quinoxalin-3-yl]sulfonyl]phenyl]acetamide;2-[4-[(1-phenyl-2H-imidazo[4,5-b]quinoxalin-3-yl)sulfonyl]phenyl]acetamide?
2-[4-[[1-(3-methylphenyl)-2H-imidazo[4,5-b]quinoxalin-3-yl]sulfonyl]phenyl]acetamide;2-[4-[(1-phenyl-2H-imidazo[4,5-b]quinoxalin-3-yl)sulfonyl]phenyl]acetamide has a molecular weight of 905.04 g/mol, XLogP of 6.23, 10 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[1-(3-methylphenyl)-2H-imidazo[4,5-b]quinoxalin-3-yl]sulfonyl]phenyl]acetamide;2-[4-[(1-phenyl-2H-imidazo[4,5-b]quinoxalin-3-yl)sulfonyl]phenyl]acetamide is sourced from PubChem (CID 87674161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).