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

C26H30N4O3S — CID 29114051

IUPAC2-(4-benzhydrylpiperazin-1-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)CN2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C26H30N4O3S/c27-34(32,33)24-13-11-21(12-14-24)19-28-25(31)20-29-15-17-30(18-16-29)26(22-7-3-1-4-8-22)23-9-5-2-6-10-23/h1-14,26H,15-20H2,(H,28,31)(H2,27,32,33)
InChIKeyAZMJTMRIMCWDAV-UHFFFAOYSA-N
MW478.62 g/mol
LogP2.36
Rot. Bonds8

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

2-(4-benzhydrylpiperazin-1-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide (PubChem CID 29114051) has the molecular formula C26H30N4O3S and a molecular weight of 478.62 g/mol. Its IUPAC name is 2-(4-benzhydrylpiperazin-1-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-benzhydrylpiperazin-1-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide
PubChem CID29114051
Molecular FormulaC26H30N4O3S
Molecular Weight478.62 g/mol
Exact Mass478.20
IUPAC Name2-(4-benzhydrylpiperazin-1-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)CN2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C26H30N4O3S/c27-34(32,33)24-13-11-21(12-14-24)19-28-25(31)20-29-15-17-30(18-16-29)26(22-7-3-1-4-8-22)23-9-5-2-6-10-23/h1-14,26H,15-20H2,(H,28,31)(H2,27,32,33)
InChIKeyAZMJTMRIMCWDAV-UHFFFAOYSA-N
XLogP2.36
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.62
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-benzhydrylpiperazin-1-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide?
The IUPAC name of 2-(4-benzhydrylpiperazin-1-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide (CID 29114051) is 2-(4-benzhydrylpiperazin-1-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(4-benzhydrylpiperazin-1-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide?
The canonical SMILES for 2-(4-benzhydrylpiperazin-1-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide is NS(=O)(=O)c1ccc(CNC(=O)CN2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1.
What is the InChIKey of 2-(4-benzhydrylpiperazin-1-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide?
The InChIKey is AZMJTMRIMCWDAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O3S/c27-34(32,33)24-13-11-21(12-14-24)19-28-25(31)20-29-15-17-30(18-16-29)26(22-7-3-1-4-8-22)23-9-5-2-6-10-23/h1-14,26H,15-20H2,(H,28,31)(H2,27,32,33).
What are the key properties of 2-(4-benzhydrylpiperazin-1-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide?
2-(4-benzhydrylpiperazin-1-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide has a molecular weight of 478.62 g/mol, XLogP of 2.36, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzhydrylpiperazin-1-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide is sourced from PubChem (CID 29114051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).