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

C23H21N5O3S — CID 1241528

IUPACN-[4-[[3-(4-methylanilino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2ccc(C)cc2)cc1
InChIInChI=1S/C23H21N5O3S/c1-15-7-9-18(10-8-15)25-22-23(27-21-6-4-3-5-20(21)26-22)28-32(30,31)19-13-11-17(12-14-19)24-16(2)29/h3-14H,1-2H3,(H,24,29)(H,25,26)(H,27,28)
InChIKeyWEOHILQJNAZMNX-UHFFFAOYSA-N
MW447.52 g/mol
LogP4.44
Rot. Bonds6

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

N-[4-[[3-(4-methylanilino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide (PubChem CID 1241528) has the molecular formula C23H21N5O3S and a molecular weight of 447.52 g/mol. Its IUPAC name is N-[4-[[3-(4-methylanilino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[3-(4-methylanilino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide
PubChem CID1241528
Molecular FormulaC23H21N5O3S
Molecular Weight447.52 g/mol
Exact Mass447.14
IUPAC NameN-[4-[[3-(4-methylanilino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2ccc(C)cc2)cc1
InChIInChI=1S/C23H21N5O3S/c1-15-7-9-18(10-8-15)25-22-23(27-21-6-4-3-5-20(21)26-22)28-32(30,31)19-13-11-17(12-14-19)24-16(2)29/h3-14H,1-2H3,(H,24,29)(H,25,26)(H,27,28)
InChIKeyWEOHILQJNAZMNX-UHFFFAOYSA-N
XLogP4.44
TPSA113.08 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.52
LogP ≤ 54.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-methoxy-N-[3-(4-methylanilino)quinoxalin-2-yl]benzenesulfonamide
CID 1398612
4-chloro-N-[3-(4-methylanilino)quinoxalin-2-yl]benzenesulfonamide
CID 1133668
N-[4-[[3-(3-sulfamoylanilino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide
CID 3343597
N-[3-[4-(diethylsulfamoyl)anilino]quinoxalin-2-yl]-4-methylbenzenesulfonamide
CID 2319111
N-[4-[[3-(2-hydroxyethylamino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide
CID 25038629
N-[3-(3,5-dichloroanilino)quinoxalin-2-yl]-4-methylbenzenesulfonamide
CID 3699494
N-[4-[[4-(4-methylanilino)phenyl]sulfamoyl]phenyl]acetamide
CID 112986068
N-[3-[4-(hydroxyamino)anilino]quinoxalin-2-yl]benzenesulfonamide
CID 136598761
N-[3-(3,5-dimethylanilino)quinoxalin-2-yl]benzenesulfonamide
CID 1325943
4-bromo-N-[3-(3,5-dimethylanilino)quinoxalin-2-yl]benzenesulfonamide
CID 25047150
4-[[3-[(4-aminophenyl)sulfonylamino]quinoxalin-2-yl]amino]benzoic acid
CID 143628844
N-[4-[(3-propoxyquinoxalin-2-yl)sulfamoyl]phenyl]acetamide
CID 7693406

Frequently Asked Questions

What is the IUPAC name of N-[4-[[3-(4-methylanilino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[[3-(4-methylanilino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide (CID 1241528) is N-[4-[[3-(4-methylanilino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[3-(4-methylanilino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[3-(4-methylanilino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2ccc(C)cc2)cc1.
What is the InChIKey of N-[4-[[3-(4-methylanilino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide?
The InChIKey is WEOHILQJNAZMNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O3S/c1-15-7-9-18(10-8-15)25-22-23(27-21-6-4-3-5-20(21)26-22)28-32(30,31)19-13-11-17(12-14-19)24-16(2)29/h3-14H,1-2H3,(H,24,29)(H,25,26)(H,27,28).
What are the key properties of N-[4-[[3-(4-methylanilino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide?
N-[4-[[3-(4-methylanilino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide has a molecular weight of 447.52 g/mol, XLogP of 4.44, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[3-(4-methylanilino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 1241528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).