1-(3-methoxyphenyl)-3-(4-phenylcyclohexyl)thiourea

C20H24N2OS — CID 45368524

IUPAC1-(3-methoxyphenyl)-3-(4-phenylcyclohexyl)thiourea
SMILESCOc1cccc(NC(=S)NC2CCC(c3ccccc3)CC2)c1
InChIInChI=1S/C20H24N2OS/c1-23-19-9-5-8-18(14-19)22-20(24)21-17-12-10-16(11-13-17)15-6-3-2-4-7-15/h2-9,14,16-17H,10-13H2,1H3,(H2,21,22,24)
InChIKeyQHCNOOYRSRZHLS-UHFFFAOYSA-N
MW340.49 g/mol
LogP4.71
Rot. Bonds4

About 1-(3-methoxyphenyl)-3-(4-phenylcyclohexyl)thiourea

1-(3-methoxyphenyl)-3-(4-phenylcyclohexyl)thiourea (PubChem CID 45368524) has the molecular formula C20H24N2OS and a molecular weight of 340.49 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-3-(4-phenylcyclohexyl)thiourea.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-3-(4-phenylcyclohexyl)thiourea
PubChem CID45368524
Molecular FormulaC20H24N2OS
Molecular Weight340.49 g/mol
Exact Mass340.16
IUPAC Name1-(3-methoxyphenyl)-3-(4-phenylcyclohexyl)thiourea
SMILESCOc1cccc(NC(=S)NC2CCC(c3ccccc3)CC2)c1
InChIInChI=1S/C20H24N2OS/c1-23-19-9-5-8-18(14-19)22-20(24)21-17-12-10-16(11-13-17)15-6-3-2-4-7-15/h2-9,14,16-17H,10-13H2,1H3,(H2,21,22,24)
InChIKeyQHCNOOYRSRZHLS-UHFFFAOYSA-N
XLogP4.71
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-cyclopropyl-3-(3-phenoxyphenyl)thiourea
CID 115570462
1-(1-benzylpyrrolidin-3-yl)-3-(3-methoxyphenyl)thiourea
CID 78747539
[4-(3-methoxyphenyl)cyclohexyl]carbamic acid
CID 69226808
4-[(3-methoxyphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 61190108
1-cyclopropyl-3-(3-prop-2-enoxyphenyl)thiourea
CID 47511985
1-(2-adamantyl)-3-(3-methoxyphenyl)thiourea
CID 3495008
1-(3-methoxyphenyl)-3-(4-phenoxyphenyl)thiourea
CID 1288991
1-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-3-(3-methoxyphenyl)thiourea
CID 11930350
1-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-(3-methoxyphenyl)thiourea
CID 11919190
1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-3-(3-methoxyphenyl)thiourea
CID 7942231
2-(cyclopentylamino)-N-(3-methoxyphenyl)-2-sulfanylideneacetamide
CID 3432292
1-(3-methoxyphenyl)-3-(4-methoxyphenyl)thiourea
CID 976451

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-3-(4-phenylcyclohexyl)thiourea?
The IUPAC name of 1-(3-methoxyphenyl)-3-(4-phenylcyclohexyl)thiourea (CID 45368524) is 1-(3-methoxyphenyl)-3-(4-phenylcyclohexyl)thiourea.
What is the SMILES notation for 1-(3-methoxyphenyl)-3-(4-phenylcyclohexyl)thiourea?
The canonical SMILES for 1-(3-methoxyphenyl)-3-(4-phenylcyclohexyl)thiourea is COc1cccc(NC(=S)NC2CCC(c3ccccc3)CC2)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-3-(4-phenylcyclohexyl)thiourea?
The InChIKey is QHCNOOYRSRZHLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2OS/c1-23-19-9-5-8-18(14-19)22-20(24)21-17-12-10-16(11-13-17)15-6-3-2-4-7-15/h2-9,14,16-17H,10-13H2,1H3,(H2,21,22,24).
What are the key properties of 1-(3-methoxyphenyl)-3-(4-phenylcyclohexyl)thiourea?
1-(3-methoxyphenyl)-3-(4-phenylcyclohexyl)thiourea has a molecular weight of 340.49 g/mol, XLogP of 4.71, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-3-(4-phenylcyclohexyl)thiourea is sourced from PubChem (CID 45368524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).