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

C19H31N5O3S — CID 16932264

IUPACN'-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]-N-(2-morpholin-4-ylethyl)oxamide
SMILESCN1CCN(C(CNC(=O)C(=O)NCCN2CCOCC2)c2ccsc2)CC1
InChIInChI=1S/C19H31N5O3S/c1-22-5-7-24(8-6-22)17(16-2-13-28-15-16)14-21-19(26)18(25)20-3-4-23-9-11-27-12-10-23/h2,13,15,17H,3-12,14H2,1H3,(H,20,25)(H,21,26)
InChIKeyHUPNSFTXLXEXTG-UHFFFAOYSA-N
MW409.56 g/mol
LogP-0.40
Rot. Bonds7

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

N'-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]-N-(2-morpholin-4-ylethyl)oxamide (PubChem CID 16932264) has the molecular formula C19H31N5O3S and a molecular weight of 409.56 g/mol. Its IUPAC name is N'-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]-N-(2-morpholin-4-ylethyl)oxamide.

Molecular Properties

Compound NameN'-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]-N-(2-morpholin-4-ylethyl)oxamide
PubChem CID16932264
Molecular FormulaC19H31N5O3S
Molecular Weight409.56 g/mol
Exact Mass409.21
IUPAC NameN'-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]-N-(2-morpholin-4-ylethyl)oxamide
SMILESCN1CCN(C(CNC(=O)C(=O)NCCN2CCOCC2)c2ccsc2)CC1
InChIInChI=1S/C19H31N5O3S/c1-22-5-7-24(8-6-22)17(16-2-13-28-15-16)14-21-19(26)18(25)20-3-4-23-9-11-27-12-10-23/h2,13,15,17H,3-12,14H2,1H3,(H,20,25)(H,21,26)
InChIKeyHUPNSFTXLXEXTG-UHFFFAOYSA-N
XLogP-0.40
TPSA77.15 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.56
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N'-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]-N-(2-morpholin-4-ylethyl)oxamide with MolForge

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Related Compounds

N-(3-methylbutyl)-N'-(2-morpholin-4-yl-2-thiophen-3-ylethyl)oxamide
CID 16932439
N'-(2-morpholin-4-yl-2-thiophen-3-ylethyl)-N-(2-phenylethyl)oxamide
CID 16932487
N'-cyclopropyl-N-[(2R)-2-morpholin-4-yl-2-thiophen-3-ylethyl]oxamide
CID 30606007
N'-cyclopropyl-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)oxamide
CID 16932494
N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]propanamide
CID 16931459
N-[(2S)-2-morpholin-4-yl-2-thiophen-3-ylethyl]-N'-(4-propan-2-ylphenyl)oxamide
CID 30606016
N'-(2,5-dimethylphenyl)-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)oxamide
CID 16932512
N'-cyclopentyl-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]oxamide
CID 16932240
N-[(4-chlorophenyl)methyl]-N'-(2-morpholin-4-yl-2-thiophen-3-ylethyl)oxamide
CID 16932433
N'-(3,4-dimethylphenyl)-N-[(2S)-2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]oxamide
CID 30605747
N'-cyclohexyl-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)oxamide
CID 16932444
N'-(4-chlorophenyl)-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)oxamide
CID 16932435

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]-N-(2-morpholin-4-ylethyl)oxamide?
The IUPAC name of N'-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]-N-(2-morpholin-4-ylethyl)oxamide (CID 16932264) is N'-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]-N-(2-morpholin-4-ylethyl)oxamide.
What is the SMILES notation for N'-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]-N-(2-morpholin-4-ylethyl)oxamide?
The canonical SMILES for N'-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]-N-(2-morpholin-4-ylethyl)oxamide is CN1CCN(C(CNC(=O)C(=O)NCCN2CCOCC2)c2ccsc2)CC1.
What is the InChIKey of N'-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]-N-(2-morpholin-4-ylethyl)oxamide?
The InChIKey is HUPNSFTXLXEXTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O3S/c1-22-5-7-24(8-6-22)17(16-2-13-28-15-16)14-21-19(26)18(25)20-3-4-23-9-11-27-12-10-23/h2,13,15,17H,3-12,14H2,1H3,(H,20,25)(H,21,26).
What are the key properties of N'-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]-N-(2-morpholin-4-ylethyl)oxamide?
N'-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]-N-(2-morpholin-4-ylethyl)oxamide has a molecular weight of 409.56 g/mol, XLogP of -0.40, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]-N-(2-morpholin-4-ylethyl)oxamide is sourced from PubChem (CID 16932264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).