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

C23H21N5O4S — CID 1241530

IUPACN-[4-[[3-(4-methoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide
SMILESCOc1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1
InChIInChI=1S/C23H21N5O4S/c1-15(29)24-16-9-13-19(14-10-16)33(30,31)28-23-22(25-17-7-11-18(32-2)12-8-17)26-20-5-3-4-6-21(20)27-23/h3-14H,1-2H3,(H,24,29)(H,25,26)(H,27,28)
InChIKeySBMFSORXIDJAMA-UHFFFAOYSA-N
MW463.52 g/mol
LogP4.14
Rot. Bonds7

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

N-[4-[[3-(4-methoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide (PubChem CID 1241530) has the molecular formula C23H21N5O4S and a molecular weight of 463.52 g/mol. Its IUPAC name is N-[4-[[3-(4-methoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[3-(4-methoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide
PubChem CID1241530
Molecular FormulaC23H21N5O4S
Molecular Weight463.52 g/mol
Exact Mass463.13
IUPAC NameN-[4-[[3-(4-methoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide
SMILESCOc1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1
InChIInChI=1S/C23H21N5O4S/c1-15(29)24-16-9-13-19(14-10-16)33(30,31)28-23-22(25-17-7-11-18(32-2)12-8-17)26-20-5-3-4-6-21(20)27-23/h3-14H,1-2H3,(H,24,29)(H,25,26)(H,27,28)
InChIKeySBMFSORXIDJAMA-UHFFFAOYSA-N
XLogP4.14
TPSA122.31 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.52
LogP ≤ 54.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[3-(4-methoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[[3-(4-methoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide (CID 1241530) is N-[4-[[3-(4-methoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[3-(4-methoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[3-(4-methoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide is COc1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1.
What is the InChIKey of N-[4-[[3-(4-methoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide?
The InChIKey is SBMFSORXIDJAMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O4S/c1-15(29)24-16-9-13-19(14-10-16)33(30,31)28-23-22(25-17-7-11-18(32-2)12-8-17)26-20-5-3-4-6-21(20)27-23/h3-14H,1-2H3,(H,24,29)(H,25,26)(H,27,28).
What are the key properties of N-[4-[[3-(4-methoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide?
N-[4-[[3-(4-methoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide has a molecular weight of 463.52 g/mol, XLogP of 4.14, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[3-(4-methoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 1241530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).