4-tert-butyl-N-[4-(quinoxalin-2-ylsulfamoyl)phenyl]benzamide

C25H24N4O3S — CID 1009382

IUPAC4-tert-butyl-N-[4-(quinoxalin-2-ylsulfamoyl)phenyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cnc4ccccc4n3)cc2)cc1
InChIInChI=1S/C25H24N4O3S/c1-25(2,3)18-10-8-17(9-11-18)24(30)27-19-12-14-20(15-13-19)33(31,32)29-23-16-26-21-6-4-5-7-22(21)28-23/h4-16H,1-3H3,(H,27,30)(H,28,29)
InChIKeyYLAVUUNGVSZQNA-UHFFFAOYSA-N
MW460.56 g/mol
LogP4.98
Rot. Bonds5

About 4-tert-butyl-N-[4-(quinoxalin-2-ylsulfamoyl)phenyl]benzamide

4-tert-butyl-N-[4-(quinoxalin-2-ylsulfamoyl)phenyl]benzamide (PubChem CID 1009382) has the molecular formula C25H24N4O3S and a molecular weight of 460.56 g/mol. Its IUPAC name is 4-tert-butyl-N-[4-(quinoxalin-2-ylsulfamoyl)phenyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[4-(quinoxalin-2-ylsulfamoyl)phenyl]benzamide
PubChem CID1009382
Molecular FormulaC25H24N4O3S
Molecular Weight460.56 g/mol
Exact Mass460.16
IUPAC Name4-tert-butyl-N-[4-(quinoxalin-2-ylsulfamoyl)phenyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cnc4ccccc4n3)cc2)cc1
InChIInChI=1S/C25H24N4O3S/c1-25(2,3)18-10-8-17(9-11-18)24(30)27-19-12-14-20(15-13-19)33(31,32)29-23-16-26-21-6-4-5-7-22(21)28-23/h4-16H,1-3H3,(H,27,30)(H,28,29)
InChIKeyYLAVUUNGVSZQNA-UHFFFAOYSA-N
XLogP4.98
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.56
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[4-(quinoxalin-2-ylsulfamoyl)phenyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[4-(quinoxalin-2-ylsulfamoyl)phenyl]benzamide (CID 1009382) is 4-tert-butyl-N-[4-(quinoxalin-2-ylsulfamoyl)phenyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[4-(quinoxalin-2-ylsulfamoyl)phenyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[4-(quinoxalin-2-ylsulfamoyl)phenyl]benzamide is CC(C)(C)c1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cnc4ccccc4n3)cc2)cc1.
What is the InChIKey of 4-tert-butyl-N-[4-(quinoxalin-2-ylsulfamoyl)phenyl]benzamide?
The InChIKey is YLAVUUNGVSZQNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O3S/c1-25(2,3)18-10-8-17(9-11-18)24(30)27-19-12-14-20(15-13-19)33(31,32)29-23-16-26-21-6-4-5-7-22(21)28-23/h4-16H,1-3H3,(H,27,30)(H,28,29).
What are the key properties of 4-tert-butyl-N-[4-(quinoxalin-2-ylsulfamoyl)phenyl]benzamide?
4-tert-butyl-N-[4-(quinoxalin-2-ylsulfamoyl)phenyl]benzamide has a molecular weight of 460.56 g/mol, XLogP of 4.98, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[4-(quinoxalin-2-ylsulfamoyl)phenyl]benzamide is sourced from PubChem (CID 1009382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).