1-cyclohexyl-3-[(2-phenoxyacetyl)amino]thiourea

C15H21N3O2S — CID 19167980

IUPAC1-cyclohexyl-3-[(2-phenoxyacetyl)amino]thiourea
SMILESO=C(COc1ccccc1)NNC(=S)NC1CCCCC1
InChIInChI=1S/C15H21N3O2S/c19-14(11-20-13-9-5-2-6-10-13)17-18-15(21)16-12-7-3-1-4-8-12/h2,5-6,9-10,12H,1,3-4,7-8,11H2,(H,17,19)(H2,16,18,21)
InChIKeyLHQNJOWVTSKWRE-UHFFFAOYSA-N
MW307.42 g/mol
LogP1.89
Rot. Bonds4

About 1-cyclohexyl-3-[(2-phenoxyacetyl)amino]thiourea

1-cyclohexyl-3-[(2-phenoxyacetyl)amino]thiourea (PubChem CID 19167980) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is 1-cyclohexyl-3-[(2-phenoxyacetyl)amino]thiourea.

Molecular Properties

Compound Name1-cyclohexyl-3-[(2-phenoxyacetyl)amino]thiourea
PubChem CID19167980
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC Name1-cyclohexyl-3-[(2-phenoxyacetyl)amino]thiourea
SMILESO=C(COc1ccccc1)NNC(=S)NC1CCCCC1
InChIInChI=1S/C15H21N3O2S/c19-14(11-20-13-9-5-2-6-10-13)17-18-15(21)16-12-7-3-1-4-8-12/h2,5-6,9-10,12H,1,3-4,7-8,11H2,(H,17,19)(H2,16,18,21)
InChIKeyLHQNJOWVTSKWRE-UHFFFAOYSA-N
XLogP1.89
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2S)-1-[2-(cyclopentylcarbamothioyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]-2-phenoxyacetamide
CID 9147191
N'-(2-phenoxyacetyl)cyclohexanecarbohydrazide
CID 695727
N-cyclooctyl-2-[(2-phenoxyacetyl)amino]acetamide
CID 24635122
1-cyclohexyl-3-[[2-(4-phenylphenoxy)acetyl]amino]urea
CID 1294961
N-cyclohexyl-2-[(2-phenoxyacetyl)amino]propanamide
CID 51160967
N'-[2-(4-phenylphenoxy)acetyl]cyclohexanecarbohydrazide
CID 4513389
N-(4-oxocyclohexyl)-2-phenoxyacetamide
CID 43652791
N-(oxan-4-yl)-2-phenoxyacetamide
CID 61062946
1-cyclohexyl-3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]thiourea
CID 1181912
N-[[(2-naphthalen-2-yloxyacetyl)amino]carbamothioyl]cyclohexanecarboxamide
CID 4507619
N-[(4-cyclohexylphenyl)carbamothioyl]-2-phenoxyacetamide
CID 21041842
2-(4-chlorophenoxy)-N-cyclooctylacetamide
CID 875180

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[(2-phenoxyacetyl)amino]thiourea?
The IUPAC name of 1-cyclohexyl-3-[(2-phenoxyacetyl)amino]thiourea (CID 19167980) is 1-cyclohexyl-3-[(2-phenoxyacetyl)amino]thiourea.
What is the SMILES notation for 1-cyclohexyl-3-[(2-phenoxyacetyl)amino]thiourea?
The canonical SMILES for 1-cyclohexyl-3-[(2-phenoxyacetyl)amino]thiourea is O=C(COc1ccccc1)NNC(=S)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-[(2-phenoxyacetyl)amino]thiourea?
The InChIKey is LHQNJOWVTSKWRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c19-14(11-20-13-9-5-2-6-10-13)17-18-15(21)16-12-7-3-1-4-8-12/h2,5-6,9-10,12H,1,3-4,7-8,11H2,(H,17,19)(H2,16,18,21).
What are the key properties of 1-cyclohexyl-3-[(2-phenoxyacetyl)amino]thiourea?
1-cyclohexyl-3-[(2-phenoxyacetyl)amino]thiourea has a molecular weight of 307.42 g/mol, XLogP of 1.89, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[(2-phenoxyacetyl)amino]thiourea is sourced from PubChem (CID 19167980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).