N-[4-[cyano-[3-(2-morpholin-4-ylethylamino)quinoxalin-2-yl]methyl]sulfonylphenyl]acetamide

C24H26N6O4S — CID 3905965

IUPACN-[4-[cyano-[3-(2-morpholin-4-ylethylamino)quinoxalin-2-yl]methyl]sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)C(C#N)c2nc3ccccc3nc2NCCN2CCOCC2)cc1
InChIInChI=1S/C24H26N6O4S/c1-17(31)27-18-6-8-19(9-7-18)35(32,33)22(16-25)23-24(26-10-11-30-12-14-34-15-13-30)29-21-5-3-2-4-20(21)28-23/h2-9,22H,10-15H2,1H3,(H,26,29)(H,27,31)
InChIKeyAGLRVQFITFFTRR-UHFFFAOYSA-N
MW494.58 g/mol
LogP2.37
Rot. Bonds8

About N-[4-[cyano-[3-(2-morpholin-4-ylethylamino)quinoxalin-2-yl]methyl]sulfonylphenyl]acetamide

N-[4-[cyano-[3-(2-morpholin-4-ylethylamino)quinoxalin-2-yl]methyl]sulfonylphenyl]acetamide (PubChem CID 3905965) has the molecular formula C24H26N6O4S and a molecular weight of 494.58 g/mol. Its IUPAC name is N-[4-[cyano-[3-(2-morpholin-4-ylethylamino)quinoxalin-2-yl]methyl]sulfonylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[cyano-[3-(2-morpholin-4-ylethylamino)quinoxalin-2-yl]methyl]sulfonylphenyl]acetamide
PubChem CID3905965
Molecular FormulaC24H26N6O4S
Molecular Weight494.58 g/mol
Exact Mass494.17
IUPAC NameN-[4-[cyano-[3-(2-morpholin-4-ylethylamino)quinoxalin-2-yl]methyl]sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)C(C#N)c2nc3ccccc3nc2NCCN2CCOCC2)cc1
InChIInChI=1S/C24H26N6O4S/c1-17(31)27-18-6-8-19(9-7-18)35(32,33)22(16-25)23-24(26-10-11-30-12-14-34-15-13-30)29-21-5-3-2-4-20(21)28-23/h2-9,22H,10-15H2,1H3,(H,26,29)(H,27,31)
InChIKeyAGLRVQFITFFTRR-UHFFFAOYSA-N
XLogP2.37
TPSA137.31 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.58
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

4-[3-(Benzenesulfonyl)quinoxalin-2-yl]morpholine
CID 70691801
N-[4-[(3-morpholin-4-ylquinoxalin-2-yl)sulfamoyl]phenyl]acetamide
CID 1910549
N-(4-{[3-(pyrrolidin-1-yl)quinoxalin-2-yl]sulfamoyl}phenyl)acetamide
CID 660711
Ethyl 4-[3-[cyano-(4-methylphenyl)sulfonylmethyl]quinoxalin-2-yl]piperazine-1-carboxylate
CID 661399
2-(Benzenesulfonyl)-2-[3-(3-methylpiperidin-1-yl)quinoxalin-2-yl]acetonitrile
CID 662247
2-(3-Morpholinoquinoxalin-2-yl)-2-(m-tolylsulfonyl)acetonitrile
CID 663584
[3-(2,6-Dimethylmorpholin-4-yl)quinoxalin-2-yl][(3-methylphenyl)sulfonyl]acetonitrile
CID 664065
N-[4-({2-amino-1-[2-(morpholin-4-yl)ethyl]-1H-pyrrolo[2,3-b]quinoxalin-3-yl}sulfonyl)phenyl]acetamide
CID 2116892
N-[4-({[3-(dibutylamino)-2-quinoxalinyl]amino}sulfonyl)phenyl]acetamide
CID 2297789
N-[4-[cyano-[3-(3-hydroxypropylamino)-2-quinoxalinyl]methyl]sulfonylphenyl]acetamide
CID 4023174
2-{[3-(2,6-Dimethylmorpholin-4-YL)quinoxalin-2-YL]sulfanyl}-N-(4-fluorophenyl)acetamide
CID 22332566
N-(2-fluorophenyl)-2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanylacetamide
CID 22332629

Frequently Asked Questions

What is the IUPAC name of N-[4-[cyano-[3-(2-morpholin-4-ylethylamino)quinoxalin-2-yl]methyl]sulfonylphenyl]acetamide?
The IUPAC name of N-[4-[cyano-[3-(2-morpholin-4-ylethylamino)quinoxalin-2-yl]methyl]sulfonylphenyl]acetamide (CID 3905965) is N-[4-[cyano-[3-(2-morpholin-4-ylethylamino)quinoxalin-2-yl]methyl]sulfonylphenyl]acetamide.
What is the SMILES notation for N-[4-[cyano-[3-(2-morpholin-4-ylethylamino)quinoxalin-2-yl]methyl]sulfonylphenyl]acetamide?
The canonical SMILES for N-[4-[cyano-[3-(2-morpholin-4-ylethylamino)quinoxalin-2-yl]methyl]sulfonylphenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)C(C#N)c2nc3ccccc3nc2NCCN2CCOCC2)cc1.
What is the InChIKey of N-[4-[cyano-[3-(2-morpholin-4-ylethylamino)quinoxalin-2-yl]methyl]sulfonylphenyl]acetamide?
The InChIKey is AGLRVQFITFFTRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O4S/c1-17(31)27-18-6-8-19(9-7-18)35(32,33)22(16-25)23-24(26-10-11-30-12-14-34-15-13-30)29-21-5-3-2-4-20(21)28-23/h2-9,22H,10-15H2,1H3,(H,26,29)(H,27,31).
What are the key properties of N-[4-[cyano-[3-(2-morpholin-4-ylethylamino)quinoxalin-2-yl]methyl]sulfonylphenyl]acetamide?
N-[4-[cyano-[3-(2-morpholin-4-ylethylamino)quinoxalin-2-yl]methyl]sulfonylphenyl]acetamide has a molecular weight of 494.58 g/mol, XLogP of 2.37, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[cyano-[3-(2-morpholin-4-ylethylamino)quinoxalin-2-yl]methyl]sulfonylphenyl]acetamide is sourced from PubChem (CID 3905965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).