4-benzoyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide

C22H20N2O4S — CID 4850326

IUPAC4-benzoyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide
SMILESCC(NC(=O)c1ccc(C(=O)c2ccccc2)cc1)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C22H20N2O4S/c1-15(16-11-13-20(14-12-16)29(23,27)28)24-22(26)19-9-7-18(8-10-19)21(25)17-5-3-2-4-6-17/h2-15H,1H3,(H,24,26)(H2,23,27,28)
InChIKeyRQPDGGZUHZNDBT-UHFFFAOYSA-N
MW408.48 g/mol
LogP3.06
Rot. Bonds6

About 4-benzoyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide

4-benzoyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide (PubChem CID 4850326) has the molecular formula C22H20N2O4S and a molecular weight of 408.48 g/mol. Its IUPAC name is 4-benzoyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-benzoyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide
PubChem CID4850326
Molecular FormulaC22H20N2O4S
Molecular Weight408.48 g/mol
Exact Mass408.11
IUPAC Name4-benzoyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide
SMILESCC(NC(=O)c1ccc(C(=O)c2ccccc2)cc1)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C22H20N2O4S/c1-15(16-11-13-20(14-12-16)29(23,27)28)24-22(26)19-9-7-18(8-10-19)21(25)17-5-3-2-4-6-17/h2-15H,1H3,(H,24,26)(H2,23,27,28)
InChIKeyRQPDGGZUHZNDBT-UHFFFAOYSA-N
XLogP3.06
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-benzoyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide?
The IUPAC name of 4-benzoyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide (CID 4850326) is 4-benzoyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide.
What is the SMILES notation for 4-benzoyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide?
The canonical SMILES for 4-benzoyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide is CC(NC(=O)c1ccc(C(=O)c2ccccc2)cc1)c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-benzoyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide?
The InChIKey is RQPDGGZUHZNDBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O4S/c1-15(16-11-13-20(14-12-16)29(23,27)28)24-22(26)19-9-7-18(8-10-19)21(25)17-5-3-2-4-6-17/h2-15H,1H3,(H,24,26)(H2,23,27,28).
What are the key properties of 4-benzoyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide?
4-benzoyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide has a molecular weight of 408.48 g/mol, XLogP of 3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzoyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide is sourced from PubChem (CID 4850326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).