N'-(4-methylphenyl)-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]oxamide

C16H24N4O4S — CID 2273687

IUPACN'-(4-methylphenyl)-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]oxamide
SMILESCc1ccc(NC(=O)C(=O)NCCN2CCN(S(C)(=O)=O)CC2)cc1
InChIInChI=1S/C16H24N4O4S/c1-13-3-5-14(6-4-13)18-16(22)15(21)17-7-8-19-9-11-20(12-10-19)25(2,23)24/h3-6H,7-12H2,1-2H3,(H,17,21)(H,18,22)
InChIKeyTVEZSEVNNVXGFY-UHFFFAOYSA-N
MW368.46 g/mol
LogP-0.37
Rot. Bonds5

About N'-(4-methylphenyl)-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]oxamide

N'-(4-methylphenyl)-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]oxamide (PubChem CID 2273687) has the molecular formula C16H24N4O4S and a molecular weight of 368.46 g/mol. Its IUPAC name is N'-(4-methylphenyl)-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]oxamide.

Molecular Properties

Compound NameN'-(4-methylphenyl)-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]oxamide
PubChem CID2273687
Molecular FormulaC16H24N4O4S
Molecular Weight368.46 g/mol
Exact Mass368.15
IUPAC NameN'-(4-methylphenyl)-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]oxamide
SMILESCc1ccc(NC(=O)C(=O)NCCN2CCN(S(C)(=O)=O)CC2)cc1
InChIInChI=1S/C16H24N4O4S/c1-13-3-5-14(6-4-13)18-16(22)15(21)17-7-8-19-9-11-20(12-10-19)25(2,23)24/h3-6H,7-12H2,1-2H3,(H,17,21)(H,18,22)
InChIKeyTVEZSEVNNVXGFY-UHFFFAOYSA-N
XLogP-0.37
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(4-methylphenyl)-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]oxamide?
The IUPAC name of N'-(4-methylphenyl)-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]oxamide (CID 2273687) is N'-(4-methylphenyl)-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]oxamide.
What is the SMILES notation for N'-(4-methylphenyl)-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]oxamide?
The canonical SMILES for N'-(4-methylphenyl)-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]oxamide is Cc1ccc(NC(=O)C(=O)NCCN2CCN(S(C)(=O)=O)CC2)cc1.
What is the InChIKey of N'-(4-methylphenyl)-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]oxamide?
The InChIKey is TVEZSEVNNVXGFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O4S/c1-13-3-5-14(6-4-13)18-16(22)15(21)17-7-8-19-9-11-20(12-10-19)25(2,23)24/h3-6H,7-12H2,1-2H3,(H,17,21)(H,18,22).
What are the key properties of N'-(4-methylphenyl)-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]oxamide?
N'-(4-methylphenyl)-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]oxamide has a molecular weight of 368.46 g/mol, XLogP of -0.37, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-methylphenyl)-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]oxamide is sourced from PubChem (CID 2273687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).