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

C19H30N4O2S — CID 16932254

IUPACN'-cyclohexyl-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]oxamide
SMILESCN1CCN(C(CNC(=O)C(=O)NC2CCCCC2)c2ccsc2)CC1
InChIInChI=1S/C19H30N4O2S/c1-22-8-10-23(11-9-22)17(15-7-12-26-14-15)13-20-18(24)19(25)21-16-5-3-2-4-6-16/h7,12,14,16-17H,2-6,8-11,13H2,1H3,(H,20,24)(H,21,25)
InChIKeyILHOOUSTCYWZBM-UHFFFAOYSA-N
MW378.54 g/mol
LogP1.60
Rot. Bonds5

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

N'-cyclohexyl-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]oxamide (PubChem CID 16932254) has the molecular formula C19H30N4O2S and a molecular weight of 378.54 g/mol. Its IUPAC name is N'-cyclohexyl-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]oxamide.

Molecular Properties

Compound NameN'-cyclohexyl-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]oxamide
PubChem CID16932254
Molecular FormulaC19H30N4O2S
Molecular Weight378.54 g/mol
Exact Mass378.21
IUPAC NameN'-cyclohexyl-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]oxamide
SMILESCN1CCN(C(CNC(=O)C(=O)NC2CCCCC2)c2ccsc2)CC1
InChIInChI=1S/C19H30N4O2S/c1-22-8-10-23(11-9-22)17(15-7-12-26-14-15)13-20-18(24)19(25)21-16-5-3-2-4-6-16/h7,12,14,16-17H,2-6,8-11,13H2,1H3,(H,20,24)(H,21,25)
InChIKeyILHOOUSTCYWZBM-UHFFFAOYSA-N
XLogP1.60
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.54
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-cyclopentyl-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]oxamide
CID 16932240
N'-cyclopentyl-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]oxamide
CID 40848564
N'-cyclohexyl-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)oxamide
CID 16932444
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-[(2S)-2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]cyclopentanecarboxamide
CID 51620596
N'-cyclopentyl-N-[(2S)-2-[4-(dimethylamino)phenyl]-2-(4-methylpiperazin-1-yl)ethyl]oxamide
CID 7645074
N'-cyclohexyl-N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-(4-methylpiperazin-1-yl)ethyl]oxamide
CID 30576636
N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-N'-propan-2-yloxamide
CID 16932587
N'-cyclohexyl-N-[(2R)-2-(4-methylpiperazin-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]oxamide
CID 29344076
N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]propanamide
CID 16931459
N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)cyclohexanecarboxamide
CID 16931542

Frequently Asked Questions

What is the IUPAC name of N'-cyclohexyl-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]oxamide?
The IUPAC name of N'-cyclohexyl-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]oxamide (CID 16932254) is N'-cyclohexyl-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]oxamide.
What is the SMILES notation for N'-cyclohexyl-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]oxamide?
The canonical SMILES for N'-cyclohexyl-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]oxamide is CN1CCN(C(CNC(=O)C(=O)NC2CCCCC2)c2ccsc2)CC1.
What is the InChIKey of N'-cyclohexyl-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]oxamide?
The InChIKey is ILHOOUSTCYWZBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2S/c1-22-8-10-23(11-9-22)17(15-7-12-26-14-15)13-20-18(24)19(25)21-16-5-3-2-4-6-16/h7,12,14,16-17H,2-6,8-11,13H2,1H3,(H,20,24)(H,21,25).
What are the key properties of N'-cyclohexyl-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]oxamide?
N'-cyclohexyl-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]oxamide has a molecular weight of 378.54 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclohexyl-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]oxamide is sourced from PubChem (CID 16932254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).