N-[2-(cyclohexen-1-yl)ethyl]-N'-(2-pyrazol-1-yl-2-thiophen-3-ylethyl)oxamide

C19H24N4O2S — CID 126852802

IUPACN-[2-(cyclohexen-1-yl)ethyl]-N'-(2-pyrazol-1-yl-2-thiophen-3-ylethyl)oxamide
SMILESO=C(NCCC1=CCCCC1)C(=O)NCC(c1ccsc1)n1cccn1
InChIInChI=1S/C19H24N4O2S/c24-18(20-10-7-15-5-2-1-3-6-15)19(25)21-13-17(16-8-12-26-14-16)23-11-4-9-22-23/h4-5,8-9,11-12,14,17H,1-3,6-7,10,13H2,(H,20,24)(H,21,25)
InChIKeyBKFDYUFPLGELNA-UHFFFAOYSA-N
MW372.49 g/mol
LogP2.66
Rot. Bonds7

About N-[2-(cyclohexen-1-yl)ethyl]-N'-(2-pyrazol-1-yl-2-thiophen-3-ylethyl)oxamide

N-[2-(cyclohexen-1-yl)ethyl]-N'-(2-pyrazol-1-yl-2-thiophen-3-ylethyl)oxamide (PubChem CID 126852802) has the molecular formula C19H24N4O2S and a molecular weight of 372.49 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-N'-(2-pyrazol-1-yl-2-thiophen-3-ylethyl)oxamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-N'-(2-pyrazol-1-yl-2-thiophen-3-ylethyl)oxamide
PubChem CID126852802
Molecular FormulaC19H24N4O2S
Molecular Weight372.49 g/mol
Exact Mass372.16
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-N'-(2-pyrazol-1-yl-2-thiophen-3-ylethyl)oxamide
SMILESO=C(NCCC1=CCCCC1)C(=O)NCC(c1ccsc1)n1cccn1
InChIInChI=1S/C19H24N4O2S/c24-18(20-10-7-15-5-2-1-3-6-15)19(25)21-13-17(16-8-12-26-14-16)23-11-4-9-22-23/h4-5,8-9,11-12,14,17H,1-3,6-7,10,13H2,(H,20,24)(H,21,25)
InChIKeyBKFDYUFPLGELNA-UHFFFAOYSA-N
XLogP2.66
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(azepan-1-yl)-2-thiophen-3-ylethyl]-N-[2-(cyclohexen-1-yl)ethyl]oxamide
CID 16932558
N-(2-pyrazol-1-yl-2-thiophen-3-ylethyl)-N'-[4-(trifluoromethoxy)phenyl]oxamide
CID 122161523
N-[2-(cyclohexen-1-yl)ethyl]-N'-[(2R)-2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]oxamide
CID 30631838
N-(2-phenylethyl)-N'-[(2S)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]oxamide
CID 40848792
N-[2-(cyclohexen-1-yl)ethyl]-N'-[(2R)-2-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]oxamide
CID 30631368
N-[2-(cyclohexen-1-yl)ethyl]-N'-[2-[4-(dimethylamino)phenyl]-2-(4-methylpiperazin-1-yl)ethyl]oxamide
CID 18583681
2-(2-methylphenoxy)-N-(2-pyrazol-1-yl-2-thiophen-3-ylethyl)acetamide
CID 122161450
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'-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-2-ylethyl]oxamide
CID 18577880
N-[2-(cyclohexen-1-yl)ethyl]-N'-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-2-ylethyl]oxamide
CID 30717802
2-(4-propan-2-ylsulfonylphenyl)-N-(2-pyrazol-1-yl-2-thiophen-3-ylethyl)acetamide
CID 122244459
N-[2-(cyclohexen-1-yl)ethyl]-N'-(2-phenylethyl)oxamide
CID 2294960

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-N'-(2-pyrazol-1-yl-2-thiophen-3-ylethyl)oxamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-N'-(2-pyrazol-1-yl-2-thiophen-3-ylethyl)oxamide (CID 126852802) is N-[2-(cyclohexen-1-yl)ethyl]-N'-(2-pyrazol-1-yl-2-thiophen-3-ylethyl)oxamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-N'-(2-pyrazol-1-yl-2-thiophen-3-ylethyl)oxamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-N'-(2-pyrazol-1-yl-2-thiophen-3-ylethyl)oxamide is O=C(NCCC1=CCCCC1)C(=O)NCC(c1ccsc1)n1cccn1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-N'-(2-pyrazol-1-yl-2-thiophen-3-ylethyl)oxamide?
The InChIKey is BKFDYUFPLGELNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2S/c24-18(20-10-7-15-5-2-1-3-6-15)19(25)21-13-17(16-8-12-26-14-16)23-11-4-9-22-23/h4-5,8-9,11-12,14,17H,1-3,6-7,10,13H2,(H,20,24)(H,21,25).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-N'-(2-pyrazol-1-yl-2-thiophen-3-ylethyl)oxamide?
N-[2-(cyclohexen-1-yl)ethyl]-N'-(2-pyrazol-1-yl-2-thiophen-3-ylethyl)oxamide has a molecular weight of 372.49 g/mol, XLogP of 2.66, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-N'-(2-pyrazol-1-yl-2-thiophen-3-ylethyl)oxamide is sourced from PubChem (CID 126852802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).