N-(2-piperazin-1-ylethyl)-N'-[(4-sulfamoylphenyl)methyl]oxamide

C15H23N5O4S — CID 108517755

IUPACN-(2-piperazin-1-ylethyl)-N'-[(4-sulfamoylphenyl)methyl]oxamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)C(=O)NCCN2CCNCC2)cc1
InChIInChI=1S/C15H23N5O4S/c16-25(23,24)13-3-1-12(2-4-13)11-19-15(22)14(21)18-7-10-20-8-5-17-6-9-20/h1-4,17H,5-11H2,(H,18,21)(H,19,22)(H2,16,23,24)
InChIKeyKBRKFQFOQLSGOC-UHFFFAOYSA-N
MW369.45 g/mol
LogP-2.03
Rot. Bonds6

About N-(2-piperazin-1-ylethyl)-N'-[(4-sulfamoylphenyl)methyl]oxamide

N-(2-piperazin-1-ylethyl)-N'-[(4-sulfamoylphenyl)methyl]oxamide (PubChem CID 108517755) has the molecular formula C15H23N5O4S and a molecular weight of 369.45 g/mol. Its IUPAC name is N-(2-piperazin-1-ylethyl)-N'-[(4-sulfamoylphenyl)methyl]oxamide.

Molecular Properties

Compound NameN-(2-piperazin-1-ylethyl)-N'-[(4-sulfamoylphenyl)methyl]oxamide
PubChem CID108517755
Molecular FormulaC15H23N5O4S
Molecular Weight369.45 g/mol
Exact Mass369.15
IUPAC NameN-(2-piperazin-1-ylethyl)-N'-[(4-sulfamoylphenyl)methyl]oxamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)C(=O)NCCN2CCNCC2)cc1
InChIInChI=1S/C15H23N5O4S/c16-25(23,24)13-3-1-12(2-4-13)11-19-15(22)14(21)18-7-10-20-8-5-17-6-9-20/h1-4,17H,5-11H2,(H,18,21)(H,19,22)(H2,16,23,24)
InChIKeyKBRKFQFOQLSGOC-UHFFFAOYSA-N
XLogP-2.03
TPSA133.63 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 5-2.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-[(4-methylphenyl)methyl]-N-(2-piperazin-1-ylethyl)oxamide
CID 108517726
(Z)-2-cyano-N-(2-piperazin-1-ylethyl)-3-[2-(4-sulfamoylphenyl)ethylamino]prop-2-enamide
CID 108864101
1-[(4-methylphenyl)methyl]-3-(2-piperazin-1-ylethyl)urea
CID 108899068
N-(3-methylbutyl)-N'-[(4-sulfamoylphenyl)methyl]oxamide
CID 108520363
2-oxo-2-pyrrolidin-1-yl-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 17248914
N-pentyl-N'-[(4-sulfamoylphenyl)methyl]oxamide
CID 108520263
N-(3-morpholin-4-ylpropyl)-N'-[2-(4-sulfamoylphenyl)ethyl]oxamide
CID 108518499
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-(4-sulfamoylphenyl)acetamide
CID 56546152
4-(methylaminomethyl)-N-(2-piperazin-1-ylethyl)benzamide
CID 90338095
4-[(carbamoylamino)methyl]-N-(3-piperazin-1-ylpropyl)benzamide
CID 119391112
1-(2-morpholin-4-ylethyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 108988277
N-(2-piperidin-1-ylethyl)-4-sulfamoylbenzamide
CID 68595243

Frequently Asked Questions

What is the IUPAC name of N-(2-piperazin-1-ylethyl)-N'-[(4-sulfamoylphenyl)methyl]oxamide?
The IUPAC name of N-(2-piperazin-1-ylethyl)-N'-[(4-sulfamoylphenyl)methyl]oxamide (CID 108517755) is N-(2-piperazin-1-ylethyl)-N'-[(4-sulfamoylphenyl)methyl]oxamide.
What is the SMILES notation for N-(2-piperazin-1-ylethyl)-N'-[(4-sulfamoylphenyl)methyl]oxamide?
The canonical SMILES for N-(2-piperazin-1-ylethyl)-N'-[(4-sulfamoylphenyl)methyl]oxamide is NS(=O)(=O)c1ccc(CNC(=O)C(=O)NCCN2CCNCC2)cc1.
What is the InChIKey of N-(2-piperazin-1-ylethyl)-N'-[(4-sulfamoylphenyl)methyl]oxamide?
The InChIKey is KBRKFQFOQLSGOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O4S/c16-25(23,24)13-3-1-12(2-4-13)11-19-15(22)14(21)18-7-10-20-8-5-17-6-9-20/h1-4,17H,5-11H2,(H,18,21)(H,19,22)(H2,16,23,24).
What are the key properties of N-(2-piperazin-1-ylethyl)-N'-[(4-sulfamoylphenyl)methyl]oxamide?
N-(2-piperazin-1-ylethyl)-N'-[(4-sulfamoylphenyl)methyl]oxamide has a molecular weight of 369.45 g/mol, XLogP of -2.03, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-piperazin-1-ylethyl)-N'-[(4-sulfamoylphenyl)methyl]oxamide is sourced from PubChem (CID 108517755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).