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

C23H21N5O4S — CID 1317866

IUPACN-[4-[[3-(3-methoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide
SMILESCOc1cccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(NC(C)=O)cc2)c1
InChIInChI=1S/C23H21N5O4S/c1-15(29)24-16-10-12-19(13-11-16)33(30,31)28-23-22(25-17-6-5-7-18(14-17)32-2)26-20-8-3-4-9-21(20)27-23/h3-14H,1-2H3,(H,24,29)(H,25,26)(H,27,28)
InChIKeyGYBJTZXRQMQZIB-UHFFFAOYSA-N
MW463.52 g/mol
LogP4.14
Rot. Bonds7

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

N-[4-[[3-(3-methoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide (PubChem CID 1317866) has the molecular formula C23H21N5O4S and a molecular weight of 463.52 g/mol. Its IUPAC name is N-[4-[[3-(3-methoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[3-(3-methoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide
PubChem CID1317866
Molecular FormulaC23H21N5O4S
Molecular Weight463.52 g/mol
Exact Mass463.13
IUPAC NameN-[4-[[3-(3-methoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide
SMILESCOc1cccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(NC(C)=O)cc2)c1
InChIInChI=1S/C23H21N5O4S/c1-15(29)24-16-10-12-19(13-11-16)33(30,31)28-23-22(25-17-6-5-7-18(14-17)32-2)26-20-8-3-4-9-21(20)27-23/h3-14H,1-2H3,(H,24,29)(H,25,26)(H,27,28)
InChIKeyGYBJTZXRQMQZIB-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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Related Compounds

Pilaralisib
CID 56599306
N-(3-(3,5-Dimethoxyphenylamino)quinoxalin-2-yl)-4-fluorobenzenesulfonamide
CID 1627922
4-methoxy-N-[3-(prop-2-enylamino)quinoxalin-2-yl]benzenesulfonamide
CID 1636052
N-(4-(N-(3-((4-Methoxyphenyl)amino)quinoxalin-2-yl)sulfamoyl)phenyl)acetamide
CID 1241530
N-[4-({3-[(4-hydroxyphenyl)amino]quinoxalin-2-yl}sulfamoyl)phenyl]acetamide
CID 1896393
N-[3-(1,3-benzodioxol-5-ylamino)quinoxalin-2-yl]benzenesulfonamide
CID 1898287
4-chloro-N-{3-[(3-methoxyphenyl)amino]-6-methylquinoxalin-2-yl}benzenesulfonamide
CID 4271420
N-[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]-4-[(dimethylamino)methyl]benzenesulfonamide
CID 16036739
3-(benzenesulfonyl)-N-(3,5-dimethoxyphenyl)quinoxalin-2-amine
CID 56680380
3-(4-methoxyphenyl)sulfonyl-N-phenylquinoxalin-2-amine
CID 56680410
4-N-[3-(4-methoxyphenyl)sulfonylquinoxalin-2-yl]benzene-1,4-diamine
CID 56680419
3-[[3-(4-Methoxyphenyl)sulfonylquinoxalin-2-yl]amino]phenol
CID 56683747

Frequently Asked Questions

What is the IUPAC name of N-[4-[[3-(3-methoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[[3-(3-methoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide (CID 1317866) is N-[4-[[3-(3-methoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[3-(3-methoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[3-(3-methoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide is COc1cccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(NC(C)=O)cc2)c1.
What is the InChIKey of N-[4-[[3-(3-methoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide?
The InChIKey is GYBJTZXRQMQZIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O4S/c1-15(29)24-16-10-12-19(13-11-16)33(30,31)28-23-22(25-17-6-5-7-18(14-17)32-2)26-20-8-3-4-9-21(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-(3-methoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide?
N-[4-[[3-(3-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-(3-methoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 1317866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).