N-[2-(cyclohexen-1-yl)ethylcarbamothioyl]benzamide

C16H20N2OS — CID 909201

IUPACN-[2-(cyclohexen-1-yl)ethylcarbamothioyl]benzamide
SMILESO=C(NC(=S)NCCC1=CCCCC1)c1ccccc1
InChIInChI=1S/C16H20N2OS/c19-15(14-9-5-2-6-10-14)18-16(20)17-12-11-13-7-3-1-4-8-13/h2,5-7,9-10H,1,3-4,8,11-12H2,(H2,17,18,19,20)
InChIKeyWNGZXCXNXZFEJN-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.18
Rot. Bonds4

About N-[2-(cyclohexen-1-yl)ethylcarbamothioyl]benzamide

N-[2-(cyclohexen-1-yl)ethylcarbamothioyl]benzamide (PubChem CID 909201) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethylcarbamothioyl]benzamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethylcarbamothioyl]benzamide
PubChem CID909201
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC NameN-[2-(cyclohexen-1-yl)ethylcarbamothioyl]benzamide
SMILESO=C(NC(=S)NCCC1=CCCCC1)c1ccccc1
InChIInChI=1S/C16H20N2OS/c19-15(14-9-5-2-6-10-14)18-16(20)17-12-11-13-7-3-1-4-8-13/h2,5-7,9-10H,1,3-4,8,11-12H2,(H2,17,18,19,20)
InChIKeyWNGZXCXNXZFEJN-UHFFFAOYSA-N
XLogP3.18
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(cyclohexen-1-yl)ethylcarbamothioyl]-4-(3-methylbutoxy)benzamide
CID 4949065
N-[2-(cyclohexen-1-yl)ethyl]-N'-(2-phenylethyl)oxamide
CID 2294960
4-carbamothioyl-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 47213059
N-[(2R)-1-[2-(cyclohexen-1-yl)ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 163343249
N-[6-[2-(cyclohexen-1-yl)ethylamino]-6-oxohexyl]benzamide
CID 110839487
N-[2-[[N-[2-(cyclohexen-1-yl)ethyl]-N'-methylcarbamimidoyl]amino]ethyl]benzamide;hydroiodide
CID 111208397
N-[2-(cyclohexen-1-yl)ethylcarbamothioyl]-2-pentoxybenzamide
CID 4947078
1-[2-(cyclohexen-1-yl)ethyl]-3-(2,2-diphenylpropanoylamino)thiourea
CID 3475080
N-[3-[[N-[2-(cyclohexen-1-yl)ethyl]-N'-methylcarbamimidoyl]amino]propyl]benzamide
CID 111208755
N'-benzyl-N-[2-(cyclohexen-1-yl)ethyl]propanediamide
CID 108942883
4-(aminomethyl)-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 43515270
2-chloro-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 835623

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethylcarbamothioyl]benzamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethylcarbamothioyl]benzamide (CID 909201) is N-[2-(cyclohexen-1-yl)ethylcarbamothioyl]benzamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethylcarbamothioyl]benzamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethylcarbamothioyl]benzamide is O=C(NC(=S)NCCC1=CCCCC1)c1ccccc1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethylcarbamothioyl]benzamide?
The InChIKey is WNGZXCXNXZFEJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c19-15(14-9-5-2-6-10-14)18-16(20)17-12-11-13-7-3-1-4-8-13/h2,5-7,9-10H,1,3-4,8,11-12H2,(H2,17,18,19,20).
What are the key properties of N-[2-(cyclohexen-1-yl)ethylcarbamothioyl]benzamide?
N-[2-(cyclohexen-1-yl)ethylcarbamothioyl]benzamide has a molecular weight of 288.42 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethylcarbamothioyl]benzamide is sourced from PubChem (CID 909201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).