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

C19H20N4O4S — CID 7693406

IUPACN-[4-[(3-propoxyquinoxalin-2-yl)sulfamoyl]phenyl]acetamide
SMILESCCCOc1nc2ccccc2nc1NS(=O)(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C19H20N4O4S/c1-3-12-27-19-18(21-16-6-4-5-7-17(16)22-19)23-28(25,26)15-10-8-14(9-11-15)20-13(2)24/h4-11H,3,12H2,1-2H3,(H,20,24)(H,21,23)
InChIKeyYMIRXWPLSUVSQH-UHFFFAOYSA-N
MW400.46 g/mol
LogP3.18
Rot. Bonds7

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

N-[4-[(3-propoxyquinoxalin-2-yl)sulfamoyl]phenyl]acetamide (PubChem CID 7693406) has the molecular formula C19H20N4O4S and a molecular weight of 400.46 g/mol. Its IUPAC name is N-[4-[(3-propoxyquinoxalin-2-yl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(3-propoxyquinoxalin-2-yl)sulfamoyl]phenyl]acetamide
PubChem CID7693406
Molecular FormulaC19H20N4O4S
Molecular Weight400.46 g/mol
Exact Mass400.12
IUPAC NameN-[4-[(3-propoxyquinoxalin-2-yl)sulfamoyl]phenyl]acetamide
SMILESCCCOc1nc2ccccc2nc1NS(=O)(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C19H20N4O4S/c1-3-12-27-19-18(21-16-6-4-5-7-17(16)22-19)23-28(25,26)15-10-8-14(9-11-15)20-13(2)24/h4-11H,3,12H2,1-2H3,(H,20,24)(H,21,23)
InChIKeyYMIRXWPLSUVSQH-UHFFFAOYSA-N
XLogP3.18
TPSA110.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.46
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-butoxyquinoxalin-2-yl)-4-fluorobenzenesulfonamide
CID 2405355
N-[4-[[3-(dibutylamino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide
CID 2297789
N-[4-[[3-(2-hydroxyethylamino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide
CID 25038629
N-[4-[[3-(4-methylanilino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide
CID 1241528
N-[3-(3-methylbutoxy)quinoxalin-2-yl]benzenesulfonamide
CID 2303591
N-[3-(2-cyclopropylethoxy)quinoxalin-2-yl]-4-methylbenzenesulfonamide
CID 23075854
4-methyl-N-[3-(2-pyridin-4-ylethoxy)quinoxalin-2-yl]benzenesulfonamide
CID 23076027
N-[4-[[3-(3-sulfamoylanilino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide
CID 3343597
4-methyl-N-[3-[2-(N-methylanilino)ethoxy]quinoxalin-2-yl]benzenesulfonamide
CID 23076281
4-methoxy-N-[3-(2-methylbutoxy)quinoxalin-2-yl]benzenesulfonamide
CID 3274197
N-[4-[[3-[[(1S)-1-(4-fluorophenyl)ethyl]amino]quinoxalin-2-yl]sulfamoyl]phenyl]acetamide
CID 26950479
N-[4-[[3-[2-(3-hydroxypropoxy)-3,5-dimethoxyanilino]quinoxalin-2-yl]sulfamoyl]phenyl]acetamide
CID 56966768

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-propoxyquinoxalin-2-yl)sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[(3-propoxyquinoxalin-2-yl)sulfamoyl]phenyl]acetamide (CID 7693406) is N-[4-[(3-propoxyquinoxalin-2-yl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(3-propoxyquinoxalin-2-yl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(3-propoxyquinoxalin-2-yl)sulfamoyl]phenyl]acetamide is CCCOc1nc2ccccc2nc1NS(=O)(=O)c1ccc(NC(C)=O)cc1.
What is the InChIKey of N-[4-[(3-propoxyquinoxalin-2-yl)sulfamoyl]phenyl]acetamide?
The InChIKey is YMIRXWPLSUVSQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4S/c1-3-12-27-19-18(21-16-6-4-5-7-17(16)22-19)23-28(25,26)15-10-8-14(9-11-15)20-13(2)24/h4-11H,3,12H2,1-2H3,(H,20,24)(H,21,23).
What are the key properties of N-[4-[(3-propoxyquinoxalin-2-yl)sulfamoyl]phenyl]acetamide?
N-[4-[(3-propoxyquinoxalin-2-yl)sulfamoyl]phenyl]acetamide has a molecular weight of 400.46 g/mol, XLogP of 3.18, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-propoxyquinoxalin-2-yl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 7693406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).