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

C24H31N5O3S — CID 2297789

IUPACN-[4-[[3-(dibutylamino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide
SMILESCCCCN(CCCC)c1nc2ccccc2nc1NS(=O)(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C24H31N5O3S/c1-4-6-16-29(17-7-5-2)24-23(26-21-10-8-9-11-22(21)27-24)28-33(31,32)20-14-12-19(13-15-20)25-18(3)30/h8-15H,4-7,16-17H2,1-3H3,(H,25,30)(H,26,28)
InChIKeyCYNABGJOKTZYBA-UHFFFAOYSA-N
MW469.61 g/mol
LogP4.80
Rot. Bonds11

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

N-[4-[[3-(dibutylamino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide (PubChem CID 2297789) has the molecular formula C24H31N5O3S and a molecular weight of 469.61 g/mol. Its IUPAC name is N-[4-[[3-(dibutylamino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[3-(dibutylamino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide
PubChem CID2297789
Molecular FormulaC24H31N5O3S
Molecular Weight469.61 g/mol
Exact Mass469.21
IUPAC NameN-[4-[[3-(dibutylamino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide
SMILESCCCCN(CCCC)c1nc2ccccc2nc1NS(=O)(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C24H31N5O3S/c1-4-6-16-29(17-7-5-2)24-23(26-21-10-8-9-11-22(21)27-24)28-33(31,32)20-14-12-19(13-15-20)25-18(3)30/h8-15H,4-7,16-17H2,1-3H3,(H,25,30)(H,26,28)
InChIKeyCYNABGJOKTZYBA-UHFFFAOYSA-N
XLogP4.80
TPSA104.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.61
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[[3-(2-hydroxyethylamino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide
CID 25038629
N-[4-[(3-propoxyquinoxalin-2-yl)sulfamoyl]phenyl]acetamide
CID 7693406
N-[4-[[3-(4-methylanilino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide
CID 1241528
N-[4-[[3-[[(1S)-1-(4-fluorophenyl)ethyl]amino]quinoxalin-2-yl]sulfamoyl]phenyl]acetamide
CID 26950479
N-[4-[[3-(3-sulfamoylanilino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide
CID 3343597
4-methyl-N-[3-(pentylamino)quinoxalin-2-yl]benzenesulfonamide
CID 3340734
N-[4-[(4-butylphenyl)sulfonylamino]phenyl]acetamide
CID 22774827
N-[4-[butyl(ethyl)sulfamoyl]phenyl]acetamide
CID 2164655
N-[4-[[3-[2-(3-hydroxypropoxy)-3,5-dimethoxyanilino]quinoxalin-2-yl]sulfamoyl]phenyl]acetamide
CID 56966768
N-[4-[(2,6-diethylphenyl)sulfamoyl]phenyl]acetamide
CID 2725688
N-[4-[[5-(dipropylamino)-2-pyridinyl]sulfamoyl]phenyl]acetamide
CID 113030987
N-[4-[[4-(N-methylanilino)phenyl]sulfamoyl]phenyl]acetamide
CID 112986157

Frequently Asked Questions

What is the IUPAC name of N-[4-[[3-(dibutylamino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[[3-(dibutylamino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide (CID 2297789) is N-[4-[[3-(dibutylamino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[3-(dibutylamino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[3-(dibutylamino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide is CCCCN(CCCC)c1nc2ccccc2nc1NS(=O)(=O)c1ccc(NC(C)=O)cc1.
What is the InChIKey of N-[4-[[3-(dibutylamino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide?
The InChIKey is CYNABGJOKTZYBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O3S/c1-4-6-16-29(17-7-5-2)24-23(26-21-10-8-9-11-22(21)27-24)28-33(31,32)20-14-12-19(13-15-20)25-18(3)30/h8-15H,4-7,16-17H2,1-3H3,(H,25,30)(H,26,28).
What are the key properties of N-[4-[[3-(dibutylamino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide?
N-[4-[[3-(dibutylamino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide has a molecular weight of 469.61 g/mol, XLogP of 4.80, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[3-(dibutylamino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 2297789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).