2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide

C20H26N4O4S — CID 2399256

IUPAC2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)CN2CCN(c3ccccc3O)CC2)cc1
InChIInChI=1S/C20H26N4O4S/c21-29(27,28)17-7-5-16(6-8-17)9-10-22-20(26)15-23-11-13-24(14-12-23)18-3-1-2-4-19(18)25/h1-8,25H,9-15H2,(H,22,26)(H2,21,27,28)
InChIKeyGENCRVSISOVUAD-UHFFFAOYSA-N
MW418.52 g/mol
LogP0.52
Rot. Bonds7

About 2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide

2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide (PubChem CID 2399256) has the molecular formula C20H26N4O4S and a molecular weight of 418.52 g/mol. Its IUPAC name is 2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
PubChem CID2399256
Molecular FormulaC20H26N4O4S
Molecular Weight418.52 g/mol
Exact Mass418.17
IUPAC Name2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)CN2CCN(c3ccccc3O)CC2)cc1
InChIInChI=1S/C20H26N4O4S/c21-29(27,28)17-7-5-16(6-8-17)9-10-22-20(26)15-23-11-13-24(14-12-23)18-3-1-2-4-19(18)25/h1-8,25H,9-15H2,(H,22,26)(H2,21,27,28)
InChIKeyGENCRVSISOVUAD-UHFFFAOYSA-N
XLogP0.52
TPSA115.97 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The IUPAC name of 2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide (CID 2399256) is 2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The canonical SMILES for 2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide is NS(=O)(=O)c1ccc(CCNC(=O)CN2CCN(c3ccccc3O)CC2)cc1.
What is the InChIKey of 2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The InChIKey is GENCRVSISOVUAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O4S/c21-29(27,28)17-7-5-16(6-8-17)9-10-22-20(26)15-23-11-13-24(14-12-23)18-3-1-2-4-19(18)25/h1-8,25H,9-15H2,(H,22,26)(H2,21,27,28).
What are the key properties of 2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide has a molecular weight of 418.52 g/mol, XLogP of 0.52, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide is sourced from PubChem (CID 2399256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).