2-(4-benzoylpiperazin-1-yl)-N-(4-sulfamoylphenyl)acetamide

C19H22N4O4S — CID 1146666

IUPAC2-(4-benzoylpiperazin-1-yl)-N-(4-sulfamoylphenyl)acetamide
SMILESNS(=O)(=O)c1ccc(NC(=O)CN2CCN(C(=O)c3ccccc3)CC2)cc1
InChIInChI=1S/C19H22N4O4S/c20-28(26,27)17-8-6-16(7-9-17)21-18(24)14-22-10-12-23(13-11-22)19(25)15-4-2-1-3-5-15/h1-9H,10-14H2,(H,21,24)(H2,20,26,27)
InChIKeyAEYBMSQMVRKMAQ-UHFFFAOYSA-N
MW402.48 g/mol
LogP0.73
Rot. Bonds5

About 2-(4-benzoylpiperazin-1-yl)-N-(4-sulfamoylphenyl)acetamide

2-(4-benzoylpiperazin-1-yl)-N-(4-sulfamoylphenyl)acetamide (PubChem CID 1146666) has the molecular formula C19H22N4O4S and a molecular weight of 402.48 g/mol. Its IUPAC name is 2-(4-benzoylpiperazin-1-yl)-N-(4-sulfamoylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-benzoylpiperazin-1-yl)-N-(4-sulfamoylphenyl)acetamide
PubChem CID1146666
Molecular FormulaC19H22N4O4S
Molecular Weight402.48 g/mol
Exact Mass402.14
IUPAC Name2-(4-benzoylpiperazin-1-yl)-N-(4-sulfamoylphenyl)acetamide
SMILESNS(=O)(=O)c1ccc(NC(=O)CN2CCN(C(=O)c3ccccc3)CC2)cc1
InChIInChI=1S/C19H22N4O4S/c20-28(26,27)17-8-6-16(7-9-17)21-18(24)14-22-10-12-23(13-11-22)19(25)15-4-2-1-3-5-15/h1-9H,10-14H2,(H,21,24)(H2,20,26,27)
InChIKeyAEYBMSQMVRKMAQ-UHFFFAOYSA-N
XLogP0.73
TPSA112.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.48
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-benzoylpiperazin-1-yl)-N-(4-sulfamoylphenyl)acetamide?
The IUPAC name of 2-(4-benzoylpiperazin-1-yl)-N-(4-sulfamoylphenyl)acetamide (CID 1146666) is 2-(4-benzoylpiperazin-1-yl)-N-(4-sulfamoylphenyl)acetamide.
What is the SMILES notation for 2-(4-benzoylpiperazin-1-yl)-N-(4-sulfamoylphenyl)acetamide?
The canonical SMILES for 2-(4-benzoylpiperazin-1-yl)-N-(4-sulfamoylphenyl)acetamide is NS(=O)(=O)c1ccc(NC(=O)CN2CCN(C(=O)c3ccccc3)CC2)cc1.
What is the InChIKey of 2-(4-benzoylpiperazin-1-yl)-N-(4-sulfamoylphenyl)acetamide?
The InChIKey is AEYBMSQMVRKMAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O4S/c20-28(26,27)17-8-6-16(7-9-17)21-18(24)14-22-10-12-23(13-11-22)19(25)15-4-2-1-3-5-15/h1-9H,10-14H2,(H,21,24)(H2,20,26,27).
What are the key properties of 2-(4-benzoylpiperazin-1-yl)-N-(4-sulfamoylphenyl)acetamide?
2-(4-benzoylpiperazin-1-yl)-N-(4-sulfamoylphenyl)acetamide has a molecular weight of 402.48 g/mol, XLogP of 0.73, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzoylpiperazin-1-yl)-N-(4-sulfamoylphenyl)acetamide is sourced from PubChem (CID 1146666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).