2-(4-benzylpiperazin-1-yl)-2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]acetamide

C21H26N4O4S — CID 108516978

IUPAC2-(4-benzylpiperazin-1-yl)-2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)C(=O)N2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C21H26N4O4S/c22-30(28,29)19-8-6-17(7-9-19)10-11-23-20(26)21(27)25-14-12-24(13-15-25)16-18-4-2-1-3-5-18/h1-9H,10-16H2,(H,23,26)(H2,22,28,29)
InChIKeyVLLGKOIRGVNWMT-UHFFFAOYSA-N
MW430.53 g/mol
LogP0.34
Rot. Bonds6

About 2-(4-benzylpiperazin-1-yl)-2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]acetamide

2-(4-benzylpiperazin-1-yl)-2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]acetamide (PubChem CID 108516978) has the molecular formula C21H26N4O4S and a molecular weight of 430.53 g/mol. Its IUPAC name is 2-(4-benzylpiperazin-1-yl)-2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-benzylpiperazin-1-yl)-2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
PubChem CID108516978
Molecular FormulaC21H26N4O4S
Molecular Weight430.53 g/mol
Exact Mass430.17
IUPAC Name2-(4-benzylpiperazin-1-yl)-2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)C(=O)N2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C21H26N4O4S/c22-30(28,29)19-8-6-17(7-9-19)10-11-23-20(26)21(27)25-14-12-24(13-15-25)16-18-4-2-1-3-5-18/h1-9H,10-16H2,(H,23,26)(H2,22,28,29)
InChIKeyVLLGKOIRGVNWMT-UHFFFAOYSA-N
XLogP0.34
TPSA112.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.53
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-oxo-2-piperidin-1-yl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 108517282
2-(4-benzylpiperazin-1-yl)-N-(2-chloroethyl)-2-oxoacetamide
CID 108513856
N-[3-(4-benzylpiperazin-1-yl)propyl]-2-(4-sulfamoylphenyl)acetamide
CID 56546473
2-(2,6-dimethylmorpholin-4-yl)-2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 108504056
4-[2-[(4-benzylpiperazine-1-carbonyl)amino]ethyl]benzoic acid
CID 174672061
2-oxo-N-(2-phenylethyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
CID 108985123
4-[(4-methylphenyl)methyl]-N-(2-phenylethyl)piperazine-1-carboxamide
CID 113107023
2-oxo-2-pyrrolidin-1-yl-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 17248914
1-benzyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrrole-2-carboxamide
CID 52563431
N-[2-(4-hydroxyphenyl)ethyl]-N'-[2-(4-sulfamoylphenyl)ethyl]oxamide
CID 108503154
ethyl 4-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]piperazine-1-carboxylate
CID 27154557
1-(4-phenylbutyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 118398414

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperazin-1-yl)-2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The IUPAC name of 2-(4-benzylpiperazin-1-yl)-2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]acetamide (CID 108516978) is 2-(4-benzylpiperazin-1-yl)-2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(4-benzylpiperazin-1-yl)-2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The canonical SMILES for 2-(4-benzylpiperazin-1-yl)-2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]acetamide is NS(=O)(=O)c1ccc(CCNC(=O)C(=O)N2CCN(Cc3ccccc3)CC2)cc1.
What is the InChIKey of 2-(4-benzylpiperazin-1-yl)-2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The InChIKey is VLLGKOIRGVNWMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O4S/c22-30(28,29)19-8-6-17(7-9-19)10-11-23-20(26)21(27)25-14-12-24(13-15-25)16-18-4-2-1-3-5-18/h1-9H,10-16H2,(H,23,26)(H2,22,28,29).
What are the key properties of 2-(4-benzylpiperazin-1-yl)-2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
2-(4-benzylpiperazin-1-yl)-2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]acetamide has a molecular weight of 430.53 g/mol, XLogP of 0.34, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperazin-1-yl)-2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]acetamide is sourced from PubChem (CID 108516978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).