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

C24H21N5O3S — CID 987565

IUPACN-[4-[[1-(4-methylphenyl)-2H-imidazo[4,5-b]quinoxalin-3-yl]sulfonyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CN(c3ccc(C)cc3)c3nc4ccccc4nc32)cc1
InChIInChI=1S/C24H21N5O3S/c1-16-7-11-19(12-8-16)28-15-29(24-23(28)26-21-5-3-4-6-22(21)27-24)33(31,32)20-13-9-18(10-14-20)25-17(2)30/h3-14H,15H2,1-2H3,(H,25,30)
InChIKeyQAHLTRMQEBOXQH-UHFFFAOYSA-N
MW459.53 g/mol
LogP4.20
Rot. Bonds4

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

N-[4-[[1-(4-methylphenyl)-2H-imidazo[4,5-b]quinoxalin-3-yl]sulfonyl]phenyl]acetamide (PubChem CID 987565) has the molecular formula C24H21N5O3S and a molecular weight of 459.53 g/mol. Its IUPAC name is N-[4-[[1-(4-methylphenyl)-2H-imidazo[4,5-b]quinoxalin-3-yl]sulfonyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[1-(4-methylphenyl)-2H-imidazo[4,5-b]quinoxalin-3-yl]sulfonyl]phenyl]acetamide
PubChem CID987565
Molecular FormulaC24H21N5O3S
Molecular Weight459.53 g/mol
Exact Mass459.14
IUPAC NameN-[4-[[1-(4-methylphenyl)-2H-imidazo[4,5-b]quinoxalin-3-yl]sulfonyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CN(c3ccc(C)cc3)c3nc4ccccc4nc32)cc1
InChIInChI=1S/C24H21N5O3S/c1-16-7-11-19(12-8-16)28-15-29(24-23(28)26-21-5-3-4-6-22(21)27-24)33(31,32)20-13-9-18(10-14-20)25-17(2)30/h3-14H,15H2,1-2H3,(H,25,30)
InChIKeyQAHLTRMQEBOXQH-UHFFFAOYSA-N
XLogP4.20
TPSA95.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.53
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[1-(4-methylphenyl)-2H-imidazo[4,5-b]quinoxalin-3-yl]sulfonyl]phenyl]acetamide?
The IUPAC name of N-[4-[[1-(4-methylphenyl)-2H-imidazo[4,5-b]quinoxalin-3-yl]sulfonyl]phenyl]acetamide (CID 987565) is N-[4-[[1-(4-methylphenyl)-2H-imidazo[4,5-b]quinoxalin-3-yl]sulfonyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[1-(4-methylphenyl)-2H-imidazo[4,5-b]quinoxalin-3-yl]sulfonyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[1-(4-methylphenyl)-2H-imidazo[4,5-b]quinoxalin-3-yl]sulfonyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)N2CN(c3ccc(C)cc3)c3nc4ccccc4nc32)cc1.
What is the InChIKey of N-[4-[[1-(4-methylphenyl)-2H-imidazo[4,5-b]quinoxalin-3-yl]sulfonyl]phenyl]acetamide?
The InChIKey is QAHLTRMQEBOXQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O3S/c1-16-7-11-19(12-8-16)28-15-29(24-23(28)26-21-5-3-4-6-22(21)27-24)33(31,32)20-13-9-18(10-14-20)25-17(2)30/h3-14H,15H2,1-2H3,(H,25,30).
What are the key properties of N-[4-[[1-(4-methylphenyl)-2H-imidazo[4,5-b]quinoxalin-3-yl]sulfonyl]phenyl]acetamide?
N-[4-[[1-(4-methylphenyl)-2H-imidazo[4,5-b]quinoxalin-3-yl]sulfonyl]phenyl]acetamide has a molecular weight of 459.53 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[1-(4-methylphenyl)-2H-imidazo[4,5-b]quinoxalin-3-yl]sulfonyl]phenyl]acetamide is sourced from PubChem (CID 987565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).