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

C19H24N4O3S — CID 2196398

IUPAC2-(4-benzylpiperazin-1-yl)-N-(4-sulfamoylphenyl)acetamide
SMILESNS(=O)(=O)c1ccc(NC(=O)CN2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C19H24N4O3S/c20-27(25,26)18-8-6-17(7-9-18)21-19(24)15-23-12-10-22(11-13-23)14-16-4-2-1-3-5-16/h1-9H,10-15H2,(H,21,24)(H2,20,25,26)
InChIKeyVMBFFHZLNCWIEC-UHFFFAOYSA-N
MW388.49 g/mol
LogP1.09
Rot. Bonds6

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

2-(4-benzylpiperazin-1-yl)-N-(4-sulfamoylphenyl)acetamide (PubChem CID 2196398) has the molecular formula C19H24N4O3S and a molecular weight of 388.49 g/mol. Its IUPAC name is 2-(4-benzylpiperazin-1-yl)-N-(4-sulfamoylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-benzylpiperazin-1-yl)-N-(4-sulfamoylphenyl)acetamide
PubChem CID2196398
Molecular FormulaC19H24N4O3S
Molecular Weight388.49 g/mol
Exact Mass388.16
IUPAC Name2-(4-benzylpiperazin-1-yl)-N-(4-sulfamoylphenyl)acetamide
SMILESNS(=O)(=O)c1ccc(NC(=O)CN2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C19H24N4O3S/c20-27(25,26)18-8-6-17(7-9-18)21-19(24)15-23-12-10-22(11-13-23)14-16-4-2-1-3-5-16/h1-9H,10-15H2,(H,21,24)(H2,20,25,26)
InChIKeyVMBFFHZLNCWIEC-UHFFFAOYSA-N
XLogP1.09
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperazin-1-yl)-N-(4-sulfamoylphenyl)acetamide?
The IUPAC name of 2-(4-benzylpiperazin-1-yl)-N-(4-sulfamoylphenyl)acetamide (CID 2196398) is 2-(4-benzylpiperazin-1-yl)-N-(4-sulfamoylphenyl)acetamide.
What is the SMILES notation for 2-(4-benzylpiperazin-1-yl)-N-(4-sulfamoylphenyl)acetamide?
The canonical SMILES for 2-(4-benzylpiperazin-1-yl)-N-(4-sulfamoylphenyl)acetamide is NS(=O)(=O)c1ccc(NC(=O)CN2CCN(Cc3ccccc3)CC2)cc1.
What is the InChIKey of 2-(4-benzylpiperazin-1-yl)-N-(4-sulfamoylphenyl)acetamide?
The InChIKey is VMBFFHZLNCWIEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3S/c20-27(25,26)18-8-6-17(7-9-18)21-19(24)15-23-12-10-22(11-13-23)14-16-4-2-1-3-5-16/h1-9H,10-15H2,(H,21,24)(H2,20,25,26).
What are the key properties of 2-(4-benzylpiperazin-1-yl)-N-(4-sulfamoylphenyl)acetamide?
2-(4-benzylpiperazin-1-yl)-N-(4-sulfamoylphenyl)acetamide has a molecular weight of 388.49 g/mol, XLogP of 1.09, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperazin-1-yl)-N-(4-sulfamoylphenyl)acetamide is sourced from PubChem (CID 2196398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).