N-[4-(diethylsulfamoyl)phenyl]-2-(3-morpholin-4-ylquinoxalin-2-yl)oxyacetamide

C24H29N5O5S — CID 2522270

IUPACN-[4-(diethylsulfamoyl)phenyl]-2-(3-morpholin-4-ylquinoxalin-2-yl)oxyacetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)COc2nc3ccccc3nc2N2CCOCC2)cc1
InChIInChI=1S/C24H29N5O5S/c1-3-29(4-2)35(31,32)19-11-9-18(10-12-19)25-22(30)17-34-24-23(28-13-15-33-16-14-28)26-20-7-5-6-8-21(20)27-24/h5-12H,3-4,13-17H2,1-2H3,(H,25,30)
InChIKeyPVNWYYSWHZVDMR-UHFFFAOYSA-N
MW499.59 g/mol
LogP2.51
Rot. Bonds9

About N-[4-(diethylsulfamoyl)phenyl]-2-(3-morpholin-4-ylquinoxalin-2-yl)oxyacetamide

N-[4-(diethylsulfamoyl)phenyl]-2-(3-morpholin-4-ylquinoxalin-2-yl)oxyacetamide (PubChem CID 2522270) has the molecular formula C24H29N5O5S and a molecular weight of 499.59 g/mol. Its IUPAC name is N-[4-(diethylsulfamoyl)phenyl]-2-(3-morpholin-4-ylquinoxalin-2-yl)oxyacetamide.

Molecular Properties

Compound NameN-[4-(diethylsulfamoyl)phenyl]-2-(3-morpholin-4-ylquinoxalin-2-yl)oxyacetamide
PubChem CID2522270
Molecular FormulaC24H29N5O5S
Molecular Weight499.59 g/mol
Exact Mass499.19
IUPAC NameN-[4-(diethylsulfamoyl)phenyl]-2-(3-morpholin-4-ylquinoxalin-2-yl)oxyacetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)COc2nc3ccccc3nc2N2CCOCC2)cc1
InChIInChI=1S/C24H29N5O5S/c1-3-29(4-2)35(31,32)19-11-9-18(10-12-19)25-22(30)17-34-24-23(28-13-15-33-16-14-28)26-20-7-5-6-8-21(20)27-24/h5-12H,3-4,13-17H2,1-2H3,(H,25,30)
InChIKeyPVNWYYSWHZVDMR-UHFFFAOYSA-N
XLogP2.51
TPSA113.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.59
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylsulfamoyl)phenyl]-2-(3-morpholin-4-ylquinoxalin-2-yl)oxyacetamide?
The IUPAC name of N-[4-(diethylsulfamoyl)phenyl]-2-(3-morpholin-4-ylquinoxalin-2-yl)oxyacetamide (CID 2522270) is N-[4-(diethylsulfamoyl)phenyl]-2-(3-morpholin-4-ylquinoxalin-2-yl)oxyacetamide.
What is the SMILES notation for N-[4-(diethylsulfamoyl)phenyl]-2-(3-morpholin-4-ylquinoxalin-2-yl)oxyacetamide?
The canonical SMILES for N-[4-(diethylsulfamoyl)phenyl]-2-(3-morpholin-4-ylquinoxalin-2-yl)oxyacetamide is CCN(CC)S(=O)(=O)c1ccc(NC(=O)COc2nc3ccccc3nc2N2CCOCC2)cc1.
What is the InChIKey of N-[4-(diethylsulfamoyl)phenyl]-2-(3-morpholin-4-ylquinoxalin-2-yl)oxyacetamide?
The InChIKey is PVNWYYSWHZVDMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O5S/c1-3-29(4-2)35(31,32)19-11-9-18(10-12-19)25-22(30)17-34-24-23(28-13-15-33-16-14-28)26-20-7-5-6-8-21(20)27-24/h5-12H,3-4,13-17H2,1-2H3,(H,25,30).
What are the key properties of N-[4-(diethylsulfamoyl)phenyl]-2-(3-morpholin-4-ylquinoxalin-2-yl)oxyacetamide?
N-[4-(diethylsulfamoyl)phenyl]-2-(3-morpholin-4-ylquinoxalin-2-yl)oxyacetamide has a molecular weight of 499.59 g/mol, XLogP of 2.51, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylsulfamoyl)phenyl]-2-(3-morpholin-4-ylquinoxalin-2-yl)oxyacetamide is sourced from PubChem (CID 2522270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).