N-[2-(cyclohexen-1-yl)ethyl]-N'-(5-hydroxy-3-thiophen-2-ylpentyl)oxamide

C19H28N2O3S — CID 122160762

IUPACN-[2-(cyclohexen-1-yl)ethyl]-N'-(5-hydroxy-3-thiophen-2-ylpentyl)oxamide
SMILESO=C(NCCC1=CCCCC1)C(=O)NCCC(CCO)c1cccs1
InChIInChI=1S/C19H28N2O3S/c22-13-10-16(17-7-4-14-25-17)9-12-21-19(24)18(23)20-11-8-15-5-2-1-3-6-15/h4-5,7,14,16,22H,1-3,6,8-13H2,(H,20,23)(H,21,24)
InChIKeyUQXNEUASZYMZNC-UHFFFAOYSA-N
MW364.51 g/mol
LogP2.73
Rot. Bonds9

About N-[2-(cyclohexen-1-yl)ethyl]-N'-(5-hydroxy-3-thiophen-2-ylpentyl)oxamide

N-[2-(cyclohexen-1-yl)ethyl]-N'-(5-hydroxy-3-thiophen-2-ylpentyl)oxamide (PubChem CID 122160762) has the molecular formula C19H28N2O3S and a molecular weight of 364.51 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-N'-(5-hydroxy-3-thiophen-2-ylpentyl)oxamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-N'-(5-hydroxy-3-thiophen-2-ylpentyl)oxamide
PubChem CID122160762
Molecular FormulaC19H28N2O3S
Molecular Weight364.51 g/mol
Exact Mass364.18
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-N'-(5-hydroxy-3-thiophen-2-ylpentyl)oxamide
SMILESO=C(NCCC1=CCCCC1)C(=O)NCCC(CCO)c1cccs1
InChIInChI=1S/C19H28N2O3S/c22-13-10-16(17-7-4-14-25-17)9-12-21-19(24)18(23)20-11-8-15-5-2-1-3-6-15/h4-5,7,14,16,22H,1-3,6,8-13H2,(H,20,23)(H,21,24)
InChIKeyUQXNEUASZYMZNC-UHFFFAOYSA-N
XLogP2.73
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.51
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-(cyclohexen-1-yl)ethyl]-N'-(5-hydroxy-3-thiophen-2-ylpentyl)oxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(cyclohexen-1-yl)ethyl]-N'-[2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl]oxamide
CID 40799205
N-[2-(cyclohexen-1-yl)ethyl]-N'-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-2-ylethyl]oxamide
CID 18577880
N-[2-(cyclohexen-1-yl)ethyl]-N'-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-2-ylethyl]oxamide
CID 30717798
N-[2-(cyclohexen-1-yl)ethyl]-N'-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-2-ylethyl]oxamide
CID 30717802
N-[2-(cyclohexen-1-yl)ethyl]-N'-(2-phenylethyl)oxamide
CID 2294960
N-[2-(cyclohexen-1-yl)ethyl]-N'-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]oxamide
CID 56764065
N'-(1,3-benzodioxol-5-yl)-N-(5-hydroxy-3-thiophen-2-ylpentyl)oxamide
CID 122160763
(2R)-2-[2-(cyclohexen-1-yl)ethylcarbamoylamino]-4-hydroxybutanoic acid
CID 114009597
[2-[2-(cyclohexen-1-yl)ethylcarbamoylamino]-2-oxoethyl] thiophene-2-carboxylate
CID 8630880
N'-tert-butyl-N-[2-(cyclohexen-1-yl)ethyl]oxamide
CID 2914644
N-[2-(cyclohexen-1-yl)ethyl]-N'-(2-methoxyethyl)oxamide
CID 2289204
1-[2-(cyclohexen-1-yl)ethyl]-3-(3-methylbutyl)urea
CID 110299684

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-N'-(5-hydroxy-3-thiophen-2-ylpentyl)oxamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-N'-(5-hydroxy-3-thiophen-2-ylpentyl)oxamide (CID 122160762) is N-[2-(cyclohexen-1-yl)ethyl]-N'-(5-hydroxy-3-thiophen-2-ylpentyl)oxamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-N'-(5-hydroxy-3-thiophen-2-ylpentyl)oxamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-N'-(5-hydroxy-3-thiophen-2-ylpentyl)oxamide is O=C(NCCC1=CCCCC1)C(=O)NCCC(CCO)c1cccs1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-N'-(5-hydroxy-3-thiophen-2-ylpentyl)oxamide?
The InChIKey is UQXNEUASZYMZNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3S/c22-13-10-16(17-7-4-14-25-17)9-12-21-19(24)18(23)20-11-8-15-5-2-1-3-6-15/h4-5,7,14,16,22H,1-3,6,8-13H2,(H,20,23)(H,21,24).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-N'-(5-hydroxy-3-thiophen-2-ylpentyl)oxamide?
N-[2-(cyclohexen-1-yl)ethyl]-N'-(5-hydroxy-3-thiophen-2-ylpentyl)oxamide has a molecular weight of 364.51 g/mol, XLogP of 2.73, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-N'-(5-hydroxy-3-thiophen-2-ylpentyl)oxamide is sourced from PubChem (CID 122160762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).