N'-(4-methylpiperazin-1-yl)-N-(4-sulfamoylphenyl)oxamide

C13H19N5O4S — CID 108508857

IUPACN'-(4-methylpiperazin-1-yl)-N-(4-sulfamoylphenyl)oxamide
SMILESCN1CCN(NC(=O)C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1
InChIInChI=1S/C13H19N5O4S/c1-17-6-8-18(9-7-17)16-13(20)12(19)15-10-2-4-11(5-3-10)23(14,21)22/h2-5H,6-9H2,1H3,(H,15,19)(H,16,20)(H2,14,21,22)
InChIKeyAVCDMULTIWSVPD-UHFFFAOYSA-N
MW341.39 g/mol
LogP-1.45
Rot. Bonds3

About N'-(4-methylpiperazin-1-yl)-N-(4-sulfamoylphenyl)oxamide

N'-(4-methylpiperazin-1-yl)-N-(4-sulfamoylphenyl)oxamide (PubChem CID 108508857) has the molecular formula C13H19N5O4S and a molecular weight of 341.39 g/mol. Its IUPAC name is N'-(4-methylpiperazin-1-yl)-N-(4-sulfamoylphenyl)oxamide.

Molecular Properties

Compound NameN'-(4-methylpiperazin-1-yl)-N-(4-sulfamoylphenyl)oxamide
PubChem CID108508857
Molecular FormulaC13H19N5O4S
Molecular Weight341.39 g/mol
Exact Mass341.12
IUPAC NameN'-(4-methylpiperazin-1-yl)-N-(4-sulfamoylphenyl)oxamide
SMILESCN1CCN(NC(=O)C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1
InChIInChI=1S/C13H19N5O4S/c1-17-6-8-18(9-7-17)16-13(20)12(19)15-10-2-4-11(5-3-10)23(14,21)22/h2-5H,6-9H2,1H3,(H,15,19)(H,16,20)(H2,14,21,22)
InChIKeyAVCDMULTIWSVPD-UHFFFAOYSA-N
XLogP-1.45
TPSA124.84 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 5-1.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methoxyphenyl)-N'-(4-methylpiperazin-1-yl)oxamide
CID 44995872
N'-(4-methylpiperazin-1-yl)-N-(4-phenoxyphenyl)oxamide
CID 108511717
N-(4-ethoxyphenyl)-N'-(4-methylpiperazin-1-yl)oxamide
CID 44997030
[4-[[2-[(4-methylpiperazin-1-yl)amino]-2-oxoacetyl]amino]phenyl] thiocyanate
CID 108527864
N'-(4-methylpiperazin-1-yl)-N-[4-(trifluoromethoxy)phenyl]oxamide
CID 44999026
N-(4-butylphenyl)-N'-(4-methylpiperazin-1-yl)oxamide
CID 108502545
N-(4-fluorophenyl)-N'-(4-sulfamoylphenyl)oxamide
CID 108508654
N-(3H-benzimidazol-5-yl)-N'-(4-methylpiperazin-1-yl)oxamide
CID 108529307
N-[4-(diethylamino)phenyl]-N'-(4-sulfamoylphenyl)oxamide
CID 108508799
N'-(2,6-dimethylphenyl)-N-(4-sulfamoylphenyl)oxamide
CID 108508841
N-[3-(dimethylamino)phenyl]-N'-(4-methylpiperazin-1-yl)oxamide
CID 108529126
N'-(1,4-dimethylpyrazol-5-yl)-N-(4-sulfamoylphenyl)oxamide
CID 146152519

Frequently Asked Questions

What is the IUPAC name of N'-(4-methylpiperazin-1-yl)-N-(4-sulfamoylphenyl)oxamide?
The IUPAC name of N'-(4-methylpiperazin-1-yl)-N-(4-sulfamoylphenyl)oxamide (CID 108508857) is N'-(4-methylpiperazin-1-yl)-N-(4-sulfamoylphenyl)oxamide.
What is the SMILES notation for N'-(4-methylpiperazin-1-yl)-N-(4-sulfamoylphenyl)oxamide?
The canonical SMILES for N'-(4-methylpiperazin-1-yl)-N-(4-sulfamoylphenyl)oxamide is CN1CCN(NC(=O)C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1.
What is the InChIKey of N'-(4-methylpiperazin-1-yl)-N-(4-sulfamoylphenyl)oxamide?
The InChIKey is AVCDMULTIWSVPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O4S/c1-17-6-8-18(9-7-17)16-13(20)12(19)15-10-2-4-11(5-3-10)23(14,21)22/h2-5H,6-9H2,1H3,(H,15,19)(H,16,20)(H2,14,21,22).
What are the key properties of N'-(4-methylpiperazin-1-yl)-N-(4-sulfamoylphenyl)oxamide?
N'-(4-methylpiperazin-1-yl)-N-(4-sulfamoylphenyl)oxamide has a molecular weight of 341.39 g/mol, XLogP of -1.45, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-methylpiperazin-1-yl)-N-(4-sulfamoylphenyl)oxamide is sourced from PubChem (CID 108508857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).