2-(4-benzylpiperazin-1-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide

C20H26N4O3S — CID 29114074

IUPAC2-(4-benzylpiperazin-1-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)CN2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C20H26N4O3S/c21-28(26,27)19-8-6-17(7-9-19)14-22-20(25)16-24-12-10-23(11-13-24)15-18-4-2-1-3-5-18/h1-9H,10-16H2,(H,22,25)(H2,21,26,27)
InChIKeyUPQRVGXNGHXYTA-UHFFFAOYSA-N
MW402.52 g/mol
LogP0.77
Rot. Bonds7

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

2-(4-benzylpiperazin-1-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide (PubChem CID 29114074) has the molecular formula C20H26N4O3S and a molecular weight of 402.52 g/mol. Its IUPAC name is 2-(4-benzylpiperazin-1-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-benzylpiperazin-1-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide
PubChem CID29114074
Molecular FormulaC20H26N4O3S
Molecular Weight402.52 g/mol
Exact Mass402.17
IUPAC Name2-(4-benzylpiperazin-1-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)CN2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C20H26N4O3S/c21-28(26,27)19-8-6-17(7-9-19)14-22-20(25)16-24-12-10-23(11-13-24)15-18-4-2-1-3-5-18/h1-9H,10-16H2,(H,22,25)(H2,21,26,27)
InChIKeyUPQRVGXNGHXYTA-UHFFFAOYSA-N
XLogP0.77
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 50.77
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)methyl]acetamide?
The IUPAC name of 2-(4-benzylpiperazin-1-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide (CID 29114074) is 2-(4-benzylpiperazin-1-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(4-benzylpiperazin-1-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide?
The canonical SMILES for 2-(4-benzylpiperazin-1-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide is NS(=O)(=O)c1ccc(CNC(=O)CN2CCN(Cc3ccccc3)CC2)cc1.
What is the InChIKey of 2-(4-benzylpiperazin-1-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide?
The InChIKey is UPQRVGXNGHXYTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3S/c21-28(26,27)19-8-6-17(7-9-19)14-22-20(25)16-24-12-10-23(11-13-24)15-18-4-2-1-3-5-18/h1-9H,10-16H2,(H,22,25)(H2,21,26,27).
What are the key properties of 2-(4-benzylpiperazin-1-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide?
2-(4-benzylpiperazin-1-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide has a molecular weight of 402.52 g/mol, XLogP of 0.77, 7 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)methyl]acetamide is sourced from PubChem (CID 29114074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).