N-[4-[[3-(4-aminoanilino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide

C22H20N6O3S — CID 2314355

IUPACN-[4-[[3-(4-aminoanilino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2ccc(N)cc2)cc1
InChIInChI=1S/C22H20N6O3S/c1-14(29)24-16-10-12-18(13-11-16)32(30,31)28-22-21(25-17-8-6-15(23)7-9-17)26-19-4-2-3-5-20(19)27-22/h2-13H,23H2,1H3,(H,24,29)(H,25,26)(H,27,28)
InChIKeyIDEKBJZAIRMLMJ-UHFFFAOYSA-N
MW448.51 g/mol
LogP3.71
Rot. Bonds6

About N-[4-[[3-(4-aminoanilino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide

N-[4-[[3-(4-aminoanilino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide (PubChem CID 2314355) has the molecular formula C22H20N6O3S and a molecular weight of 448.51 g/mol. Its IUPAC name is N-[4-[[3-(4-aminoanilino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[3-(4-aminoanilino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide
PubChem CID2314355
Molecular FormulaC22H20N6O3S
Molecular Weight448.51 g/mol
Exact Mass448.13
IUPAC NameN-[4-[[3-(4-aminoanilino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2ccc(N)cc2)cc1
InChIInChI=1S/C22H20N6O3S/c1-14(29)24-16-10-12-18(13-11-16)32(30,31)28-22-21(25-17-8-6-15(23)7-9-17)26-19-4-2-3-5-20(19)27-22/h2-13H,23H2,1H3,(H,24,29)(H,25,26)(H,27,28)
InChIKeyIDEKBJZAIRMLMJ-UHFFFAOYSA-N
XLogP3.71
TPSA139.10 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.51
LogP ≤ 53.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[3-(4-aminoanilino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[[3-(4-aminoanilino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide (CID 2314355) is N-[4-[[3-(4-aminoanilino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[3-(4-aminoanilino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[3-(4-aminoanilino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2ccc(N)cc2)cc1.
What is the InChIKey of N-[4-[[3-(4-aminoanilino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide?
The InChIKey is IDEKBJZAIRMLMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O3S/c1-14(29)24-16-10-12-18(13-11-16)32(30,31)28-22-21(25-17-8-6-15(23)7-9-17)26-19-4-2-3-5-20(19)27-22/h2-13H,23H2,1H3,(H,24,29)(H,25,26)(H,27,28).
What are the key properties of N-[4-[[3-(4-aminoanilino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide?
N-[4-[[3-(4-aminoanilino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide has a molecular weight of 448.51 g/mol, XLogP of 3.71, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[3-(4-aminoanilino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 2314355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).