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

C18H22N4O3S — CID 1241259

IUPAC2-(4-phenylpiperazin-1-yl)-N-(4-sulfamoylphenyl)acetamide
SMILESNS(=O)(=O)c1ccc(NC(=O)CN2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C18H22N4O3S/c19-26(24,25)17-8-6-15(7-9-17)20-18(23)14-21-10-12-22(13-11-21)16-4-2-1-3-5-16/h1-9H,10-14H2,(H,20,23)(H2,19,24,25)
InChIKeyOCDRXCXELZCZQU-UHFFFAOYSA-N
MW374.47 g/mol
LogP1.09
Rot. Bonds5

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

2-(4-phenylpiperazin-1-yl)-N-(4-sulfamoylphenyl)acetamide (PubChem CID 1241259) has the molecular formula C18H22N4O3S and a molecular weight of 374.47 g/mol. Its IUPAC name is 2-(4-phenylpiperazin-1-yl)-N-(4-sulfamoylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-phenylpiperazin-1-yl)-N-(4-sulfamoylphenyl)acetamide
PubChem CID1241259
Molecular FormulaC18H22N4O3S
Molecular Weight374.47 g/mol
Exact Mass374.14
IUPAC Name2-(4-phenylpiperazin-1-yl)-N-(4-sulfamoylphenyl)acetamide
SMILESNS(=O)(=O)c1ccc(NC(=O)CN2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C18H22N4O3S/c19-26(24,25)17-8-6-15(7-9-17)20-18(23)14-21-10-12-22(13-11-21)16-4-2-1-3-5-16/h1-9H,10-14H2,(H,20,23)(H2,19,24,25)
InChIKeyOCDRXCXELZCZQU-UHFFFAOYSA-N
XLogP1.09
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
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-phenylpiperazin-1-yl)-N-(4-sulfamoylphenyl)acetamide?
The IUPAC name of 2-(4-phenylpiperazin-1-yl)-N-(4-sulfamoylphenyl)acetamide (CID 1241259) is 2-(4-phenylpiperazin-1-yl)-N-(4-sulfamoylphenyl)acetamide.
What is the SMILES notation for 2-(4-phenylpiperazin-1-yl)-N-(4-sulfamoylphenyl)acetamide?
The canonical SMILES for 2-(4-phenylpiperazin-1-yl)-N-(4-sulfamoylphenyl)acetamide is NS(=O)(=O)c1ccc(NC(=O)CN2CCN(c3ccccc3)CC2)cc1.
What is the InChIKey of 2-(4-phenylpiperazin-1-yl)-N-(4-sulfamoylphenyl)acetamide?
The InChIKey is OCDRXCXELZCZQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3S/c19-26(24,25)17-8-6-15(7-9-17)20-18(23)14-21-10-12-22(13-11-21)16-4-2-1-3-5-16/h1-9H,10-14H2,(H,20,23)(H2,19,24,25).
What are the key properties of 2-(4-phenylpiperazin-1-yl)-N-(4-sulfamoylphenyl)acetamide?
2-(4-phenylpiperazin-1-yl)-N-(4-sulfamoylphenyl)acetamide has a molecular weight of 374.47 g/mol, XLogP of 1.09, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylpiperazin-1-yl)-N-(4-sulfamoylphenyl)acetamide is sourced from PubChem (CID 1241259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).