N'-cyclopropyl-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]oxamide

C16H24N4O2S — CID 16932304

IUPACN'-cyclopropyl-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]oxamide
SMILESCN1CCN(C(CNC(=O)C(=O)NC2CC2)c2ccsc2)CC1
InChIInChI=1S/C16H24N4O2S/c1-19-5-7-20(8-6-19)14(12-4-9-23-11-12)10-17-15(21)16(22)18-13-2-3-13/h4,9,11,13-14H,2-3,5-8,10H2,1H3,(H,17,21)(H,18,22)
InChIKeyIIBSRJXDEXIXPC-UHFFFAOYSA-N
MW336.46 g/mol
LogP0.43
Rot. Bonds5

About N'-cyclopropyl-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]oxamide

N'-cyclopropyl-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]oxamide (PubChem CID 16932304) has the molecular formula C16H24N4O2S and a molecular weight of 336.46 g/mol. Its IUPAC name is N'-cyclopropyl-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]oxamide.

Molecular Properties

Compound NameN'-cyclopropyl-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]oxamide
PubChem CID16932304
Molecular FormulaC16H24N4O2S
Molecular Weight336.46 g/mol
Exact Mass336.16
IUPAC NameN'-cyclopropyl-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]oxamide
SMILESCN1CCN(C(CNC(=O)C(=O)NC2CC2)c2ccsc2)CC1
InChIInChI=1S/C16H24N4O2S/c1-19-5-7-20(8-6-19)14(12-4-9-23-11-12)10-17-15(21)16(22)18-13-2-3-13/h4,9,11,13-14H,2-3,5-8,10H2,1H3,(H,17,21)(H,18,22)
InChIKeyIIBSRJXDEXIXPC-UHFFFAOYSA-N
XLogP0.43
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 50.43
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'-cyclopropyl-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]oxamide?
The IUPAC name of N'-cyclopropyl-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]oxamide (CID 16932304) is N'-cyclopropyl-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]oxamide.
What is the SMILES notation for N'-cyclopropyl-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]oxamide?
The canonical SMILES for N'-cyclopropyl-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]oxamide is CN1CCN(C(CNC(=O)C(=O)NC2CC2)c2ccsc2)CC1.
What is the InChIKey of N'-cyclopropyl-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]oxamide?
The InChIKey is IIBSRJXDEXIXPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2S/c1-19-5-7-20(8-6-19)14(12-4-9-23-11-12)10-17-15(21)16(22)18-13-2-3-13/h4,9,11,13-14H,2-3,5-8,10H2,1H3,(H,17,21)(H,18,22).
What are the key properties of N'-cyclopropyl-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]oxamide?
N'-cyclopropyl-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]oxamide has a molecular weight of 336.46 g/mol, XLogP of 0.43, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]oxamide is sourced from PubChem (CID 16932304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).