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

C18H23N5O3S — CID 162675562

IUPAC2-(4-pyridin-2-ylpiperazin-1-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)CN2CCN(c3ccccn3)CC2)cc1
InChIInChI=1S/C18H23N5O3S/c19-27(25,26)16-6-4-15(5-7-16)13-21-18(24)14-22-9-11-23(12-10-22)17-3-1-2-8-20-17/h1-8H,9-14H2,(H,21,24)(H2,19,25,26)
InChIKeyPKTCOJHXWGJWKY-UHFFFAOYSA-N
MW389.48 g/mol
LogP0.17
Rot. Bonds6

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

2-(4-pyridin-2-ylpiperazin-1-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide (PubChem CID 162675562) has the molecular formula C18H23N5O3S and a molecular weight of 389.48 g/mol. Its IUPAC name is 2-(4-pyridin-2-ylpiperazin-1-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-pyridin-2-ylpiperazin-1-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide
PubChem CID162675562
Molecular FormulaC18H23N5O3S
Molecular Weight389.48 g/mol
Exact Mass389.15
IUPAC Name2-(4-pyridin-2-ylpiperazin-1-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)CN2CCN(c3ccccn3)CC2)cc1
InChIInChI=1S/C18H23N5O3S/c19-27(25,26)16-6-4-15(5-7-16)13-21-18(24)14-22-9-11-23(12-10-22)17-3-1-2-8-20-17/h1-8H,9-14H2,(H,21,24)(H2,19,25,26)
InChIKeyPKTCOJHXWGJWKY-UHFFFAOYSA-N
XLogP0.17
TPSA108.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-pyridin-2-ylpiperazin-1-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide?
The IUPAC name of 2-(4-pyridin-2-ylpiperazin-1-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide (CID 162675562) is 2-(4-pyridin-2-ylpiperazin-1-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(4-pyridin-2-ylpiperazin-1-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide?
The canonical SMILES for 2-(4-pyridin-2-ylpiperazin-1-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide is NS(=O)(=O)c1ccc(CNC(=O)CN2CCN(c3ccccn3)CC2)cc1.
What is the InChIKey of 2-(4-pyridin-2-ylpiperazin-1-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide?
The InChIKey is PKTCOJHXWGJWKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O3S/c19-27(25,26)16-6-4-15(5-7-16)13-21-18(24)14-22-9-11-23(12-10-22)17-3-1-2-8-20-17/h1-8H,9-14H2,(H,21,24)(H2,19,25,26).
What are the key properties of 2-(4-pyridin-2-ylpiperazin-1-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide?
2-(4-pyridin-2-ylpiperazin-1-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide has a molecular weight of 389.48 g/mol, XLogP of 0.17, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-pyridin-2-ylpiperazin-1-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide is sourced from PubChem (CID 162675562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).