N-[4-[(R)-cyano-[3-(2,4-dichlorophenoxy)quinoxalin-2-yl]methyl]sulfonylphenyl]acetamide

C24H16Cl2N4O4S — CID 2427900

IUPACN-[4-[(R)-cyano-[3-(2,4-dichlorophenoxy)quinoxalin-2-yl]methyl]sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)[C@@H](C#N)c2nc3ccccc3nc2Oc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C24H16Cl2N4O4S/c1-14(31)28-16-7-9-17(10-8-16)35(32,33)22(13-27)23-24(30-20-5-3-2-4-19(20)29-23)34-21-11-6-15(25)12-18(21)26/h2-12,22H,1H3,(H,28,31)/t22-/m0/s1
InChIKeyCEPQXEDHLUPIDY-QFIPXVFZSA-N
MW527.39 g/mol
LogP5.73
Rot. Bonds6

About N-[4-[(R)-cyano-[3-(2,4-dichlorophenoxy)quinoxalin-2-yl]methyl]sulfonylphenyl]acetamide

N-[4-[(R)-cyano-[3-(2,4-dichlorophenoxy)quinoxalin-2-yl]methyl]sulfonylphenyl]acetamide (PubChem CID 2427900) has the molecular formula C24H16Cl2N4O4S and a molecular weight of 527.39 g/mol. Its IUPAC name is N-[4-[(R)-cyano-[3-(2,4-dichlorophenoxy)quinoxalin-2-yl]methyl]sulfonylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(R)-cyano-[3-(2,4-dichlorophenoxy)quinoxalin-2-yl]methyl]sulfonylphenyl]acetamide
PubChem CID2427900
Molecular FormulaC24H16Cl2N4O4S
Molecular Weight527.39 g/mol
Exact Mass526.03
IUPAC NameN-[4-[(R)-cyano-[3-(2,4-dichlorophenoxy)quinoxalin-2-yl]methyl]sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)[C@@H](C#N)c2nc3ccccc3nc2Oc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C24H16Cl2N4O4S/c1-14(31)28-16-7-9-17(10-8-16)35(32,33)22(13-27)23-24(30-20-5-3-2-4-19(20)29-23)34-21-11-6-15(25)12-18(21)26/h2-12,22H,1H3,(H,28,31)/t22-/m0/s1
InChIKeyCEPQXEDHLUPIDY-QFIPXVFZSA-N
XLogP5.73
TPSA122.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.39
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-[cyano-[3-(2-hydroxyethylamino)quinoxalin-2-yl]methyl]sulfonylphenyl]acetamide
CID 3998468
N-[4-[(R)-cyano-[3-(3-hydroxypropylamino)quinoxalin-2-yl]methyl]sulfonylphenyl]acetamide
CID 2107167
N-[4-[(S)-cyano-[3-(cyclopentylamino)quinoxalin-2-yl]methyl]sulfonylphenyl]acetamide
CID 2101695
N-[4-[(R)-cyano-[3-(2-phenylethylamino)quinoxalin-2-yl]methyl]sulfonylphenyl]acetamide
CID 2161095
N-[4-[[2-(2,4-dichlorophenoxy)-6-fluorophenyl]sulfamoyl]phenyl]acetamide
CID 11155608
N-[4-[(5-chloro-2-phenoxyphenyl)sulfamoyl]phenyl]acetamide
CID 2205494
(2R)-N-(4-acetamidophenyl)-2-(2,4-dichlorophenoxy)propanamide
CID 1010932
(2-chloro-4-cyanophenyl) 4-acetamidobenzenesulfonate
CID 26531625
2-(4-chlorophenyl)sulfonyl-2-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]acetonitrile
CID 4667074
2-(4-chloro-2-methylphenoxy)-N-[4-(quinoxalin-2-ylsulfamoyl)phenyl]propanamide
CID 3590295
N-[4-[(5-chloro-2-cyanophenyl)sulfamoyl]phenyl]acetamide
CID 154297068
N-(4-acetamidophenyl)-2-(2,4-dichlorophenoxy)acetamide
CID 1039828

Frequently Asked Questions

What is the IUPAC name of N-[4-[(R)-cyano-[3-(2,4-dichlorophenoxy)quinoxalin-2-yl]methyl]sulfonylphenyl]acetamide?
The IUPAC name of N-[4-[(R)-cyano-[3-(2,4-dichlorophenoxy)quinoxalin-2-yl]methyl]sulfonylphenyl]acetamide (CID 2427900) is N-[4-[(R)-cyano-[3-(2,4-dichlorophenoxy)quinoxalin-2-yl]methyl]sulfonylphenyl]acetamide.
What is the SMILES notation for N-[4-[(R)-cyano-[3-(2,4-dichlorophenoxy)quinoxalin-2-yl]methyl]sulfonylphenyl]acetamide?
The canonical SMILES for N-[4-[(R)-cyano-[3-(2,4-dichlorophenoxy)quinoxalin-2-yl]methyl]sulfonylphenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)[C@@H](C#N)c2nc3ccccc3nc2Oc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of N-[4-[(R)-cyano-[3-(2,4-dichlorophenoxy)quinoxalin-2-yl]methyl]sulfonylphenyl]acetamide?
The InChIKey is CEPQXEDHLUPIDY-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H16Cl2N4O4S/c1-14(31)28-16-7-9-17(10-8-16)35(32,33)22(13-27)23-24(30-20-5-3-2-4-19(20)29-23)34-21-11-6-15(25)12-18(21)26/h2-12,22H,1H3,(H,28,31)/t22-/m0/s1.
What are the key properties of N-[4-[(R)-cyano-[3-(2,4-dichlorophenoxy)quinoxalin-2-yl]methyl]sulfonylphenyl]acetamide?
N-[4-[(R)-cyano-[3-(2,4-dichlorophenoxy)quinoxalin-2-yl]methyl]sulfonylphenyl]acetamide has a molecular weight of 527.39 g/mol, XLogP of 5.73, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(R)-cyano-[3-(2,4-dichlorophenoxy)quinoxalin-2-yl]methyl]sulfonylphenyl]acetamide is sourced from PubChem (CID 2427900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).