3-(4-acetylphenyl)-1-cyclohexyl-1-ethylthiourea

C17H24N2OS — CID 718389

IUPAC3-(4-acetylphenyl)-1-cyclohexyl-1-ethylthiourea
SMILESCCN(C(=S)Nc1ccc(C(C)=O)cc1)C1CCCCC1
InChIInChI=1S/C17H24N2OS/c1-3-19(16-7-5-4-6-8-16)17(21)18-15-11-9-14(10-12-15)13(2)20/h9-12,16H,3-8H2,1-2H3,(H,18,21)
InChIKeyXALYLOGYFZPBBE-UHFFFAOYSA-N
MW304.46 g/mol
LogP4.24
Rot. Bonds4

About 3-(4-acetylphenyl)-1-cyclohexyl-1-ethylthiourea

3-(4-acetylphenyl)-1-cyclohexyl-1-ethylthiourea (PubChem CID 718389) has the molecular formula C17H24N2OS and a molecular weight of 304.46 g/mol. Its IUPAC name is 3-(4-acetylphenyl)-1-cyclohexyl-1-ethylthiourea.

Molecular Properties

Compound Name3-(4-acetylphenyl)-1-cyclohexyl-1-ethylthiourea
PubChem CID718389
Molecular FormulaC17H24N2OS
Molecular Weight304.46 g/mol
Exact Mass304.16
IUPAC Name3-(4-acetylphenyl)-1-cyclohexyl-1-ethylthiourea
SMILESCCN(C(=S)Nc1ccc(C(C)=O)cc1)C1CCCCC1
InChIInChI=1S/C17H24N2OS/c1-3-19(16-7-5-4-6-8-16)17(21)18-15-11-9-14(10-12-15)13(2)20/h9-12,16H,3-8H2,1-2H3,(H,18,21)
InChIKeyXALYLOGYFZPBBE-UHFFFAOYSA-N
XLogP4.24
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4,4'-Bis(dimethylamino)benzophenone
CID 7031
4,4'-Bis(diethylamino)benzophenone
CID 66663
Shellfish, unspecified
CID 584435
N-(((4-Methylphenyl)amino)thioxomethyl)benzamide
CID 2787704
Piperazin-4-ylacetophenone
CID 97269
4-(4-acetylphenyl)-N-(3-fluorophenyl)piperazine-1-carboxamide
CID 2211455
4-(4-acetylphenyl)-N-(4-methylphenyl)piperazine-1-carboxamide
CID 16012840
N-[(4-phenylpiperazin-1-yl)carbonothioyl]benzamide
CID 886842
N-(4-acetylphenyl)-N'-phenylurea
CID 682184
(E)-1-(4-dimethylaminophenyl)-3-phenylprop-2-en-1-one
CID 5356057
4-(4-acetylphenyl)-N-(4-isopropylphenyl)piperazine-1-carboxamide
CID 16012854
N-((4-(Dimethylamino)phenyl)carbamothioyl)benzenecarboximidic acid
CID 766937

Frequently Asked Questions

What is the IUPAC name of 3-(4-acetylphenyl)-1-cyclohexyl-1-ethylthiourea?
The IUPAC name of 3-(4-acetylphenyl)-1-cyclohexyl-1-ethylthiourea (CID 718389) is 3-(4-acetylphenyl)-1-cyclohexyl-1-ethylthiourea.
What is the SMILES notation for 3-(4-acetylphenyl)-1-cyclohexyl-1-ethylthiourea?
The canonical SMILES for 3-(4-acetylphenyl)-1-cyclohexyl-1-ethylthiourea is CCN(C(=S)Nc1ccc(C(C)=O)cc1)C1CCCCC1.
What is the InChIKey of 3-(4-acetylphenyl)-1-cyclohexyl-1-ethylthiourea?
The InChIKey is XALYLOGYFZPBBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2OS/c1-3-19(16-7-5-4-6-8-16)17(21)18-15-11-9-14(10-12-15)13(2)20/h9-12,16H,3-8H2,1-2H3,(H,18,21).
What are the key properties of 3-(4-acetylphenyl)-1-cyclohexyl-1-ethylthiourea?
3-(4-acetylphenyl)-1-cyclohexyl-1-ethylthiourea has a molecular weight of 304.46 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-acetylphenyl)-1-cyclohexyl-1-ethylthiourea is sourced from PubChem (CID 718389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).