N-[2-(cyclohexen-1-yl)ethyl]-N'-[2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl]oxamide

C23H27N3O3S — CID 40799205

IUPACN-[2-(cyclohexen-1-yl)ethyl]-N'-[2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl]oxamide
SMILESO=C(CNC(=O)C(=O)NCCC1=CCCCC1)N[C@H](c1ccccc1)c1cccs1
InChIInChI=1S/C23H27N3O3S/c27-20(26-21(19-12-7-15-30-19)18-10-5-2-6-11-18)16-25-23(29)22(28)24-14-13-17-8-3-1-4-9-17/h2,5-8,10-12,15,21H,1,3-4,9,13-14,16H2,(H,24,28)(H,25,29)(H,26,27)/t21-/m1/s1
InChIKeyIJFYOHXEGAQLPI-OAQYLSRUSA-N
MW425.55 g/mol
LogP3.08
Rot. Bonds8

About N-[2-(cyclohexen-1-yl)ethyl]-N'-[2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl]oxamide

N-[2-(cyclohexen-1-yl)ethyl]-N'-[2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl]oxamide (PubChem CID 40799205) has the molecular formula C23H27N3O3S and a molecular weight of 425.55 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-N'-[2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl]oxamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-N'-[2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl]oxamide
PubChem CID40799205
Molecular FormulaC23H27N3O3S
Molecular Weight425.55 g/mol
Exact Mass425.18
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-N'-[2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl]oxamide
SMILESO=C(CNC(=O)C(=O)NCCC1=CCCCC1)N[C@H](c1ccccc1)c1cccs1
InChIInChI=1S/C23H27N3O3S/c27-20(26-21(19-12-7-15-30-19)18-10-5-2-6-11-18)16-25-23(29)22(28)24-14-13-17-8-3-1-4-9-17/h2,5-8,10-12,15,21H,1,3-4,9,13-14,16H2,(H,24,28)(H,25,29)(H,26,27)/t21-/m1/s1
InChIKeyIJFYOHXEGAQLPI-OAQYLSRUSA-N
XLogP3.08
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.55
LogP ≤ 53.08
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'}

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Related Compounds

N-[2-(cyclohexen-1-yl)ethyl]-N'-(5-hydroxy-3-thiophen-2-ylpentyl)oxamide
CID 122160762
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-(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-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-2,2-diphenylacetamide
CID 112991069
N-[2-(cyclohexen-1-yl)ethyl]-N'-(2-phenylethyl)oxamide
CID 2294960
N-[(S)-phenyl(thiophen-2-yl)methyl]-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]acetamide
CID 8866543
2-[2-(cyclohexen-1-yl)ethylamino]-N-(1-phenylpropyl)acetamide
CID 54815769
N-[2-(cyclohexen-1-yl)ethyl]-3-(1-phenylethylamino)propanamide
CID 109014640
N-[2-(cyclohexen-1-yl)ethyl]-N'-[(2R)-2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]oxamide
CID 30631838
N-[2-(cyclohexen-1-yl)ethyl]-2-(3-phenylpropylamino)acetamide
CID 108993941
2-(2-methoxyethylamino)-N-[phenyl(thiophen-2-yl)methyl]acetamide
CID 78912542

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-N'-[2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl]oxamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-N'-[2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl]oxamide (CID 40799205) is N-[2-(cyclohexen-1-yl)ethyl]-N'-[2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl]oxamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-N'-[2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl]oxamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-N'-[2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl]oxamide is O=C(CNC(=O)C(=O)NCCC1=CCCCC1)N[C@H](c1ccccc1)c1cccs1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-N'-[2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl]oxamide?
The InChIKey is IJFYOHXEGAQLPI-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H27N3O3S/c27-20(26-21(19-12-7-15-30-19)18-10-5-2-6-11-18)16-25-23(29)22(28)24-14-13-17-8-3-1-4-9-17/h2,5-8,10-12,15,21H,1,3-4,9,13-14,16H2,(H,24,28)(H,25,29)(H,26,27)/t21-/m1/s1.
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-N'-[2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl]oxamide?
N-[2-(cyclohexen-1-yl)ethyl]-N'-[2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl]oxamide has a molecular weight of 425.55 g/mol, XLogP of 3.08, 8 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'-[2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl]oxamide is sourced from PubChem (CID 40799205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).