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

C17H22N6O3S — CID 29114544

IUPAC2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)CN2CCN(c3ncccn3)CC2)cc1
InChIInChI=1S/C17H22N6O3S/c18-27(25,26)15-4-2-14(3-5-15)12-21-16(24)13-22-8-10-23(11-9-22)17-19-6-1-7-20-17/h1-7H,8-13H2,(H,21,24)(H2,18,25,26)
InChIKeyVAFHHCSJIKYKHM-UHFFFAOYSA-N
MW390.47 g/mol
LogP-0.44
Rot. Bonds6

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

2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide (PubChem CID 29114544) has the molecular formula C17H22N6O3S and a molecular weight of 390.47 g/mol. Its IUPAC name is 2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide
PubChem CID29114544
Molecular FormulaC17H22N6O3S
Molecular Weight390.47 g/mol
Exact Mass390.15
IUPAC Name2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)CN2CCN(c3ncccn3)CC2)cc1
InChIInChI=1S/C17H22N6O3S/c18-27(25,26)15-4-2-14(3-5-15)12-21-16(24)13-22-8-10-23(11-9-22)17-19-6-1-7-20-17/h1-7H,8-13H2,(H,21,24)(H2,18,25,26)
InChIKeyVAFHHCSJIKYKHM-UHFFFAOYSA-N
XLogP-0.44
TPSA121.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide?
The IUPAC name of 2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide (CID 29114544) is 2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide?
The canonical SMILES for 2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide is NS(=O)(=O)c1ccc(CNC(=O)CN2CCN(c3ncccn3)CC2)cc1.
What is the InChIKey of 2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide?
The InChIKey is VAFHHCSJIKYKHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O3S/c18-27(25,26)15-4-2-14(3-5-15)12-21-16(24)13-22-8-10-23(11-9-22)17-19-6-1-7-20-17/h1-7H,8-13H2,(H,21,24)(H2,18,25,26).
What are the key properties of 2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide?
2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide has a molecular weight of 390.47 g/mol, XLogP of -0.44, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide is sourced from PubChem (CID 29114544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).