2-(3-methylphenoxy)-N-(2-phenylethylcarbamothioyl)acetamide

C18H20N2O2S — CID 4659062

IUPAC2-(3-methylphenoxy)-N-(2-phenylethylcarbamothioyl)acetamide
SMILESCc1cccc(OCC(=O)NC(=S)NCCc2ccccc2)c1
InChIInChI=1S/C18H20N2O2S/c1-14-6-5-9-16(12-14)22-13-17(21)20-18(23)19-11-10-15-7-3-2-4-8-15/h2-9,12H,10-11,13H2,1H3,(H2,19,20,21,23)
InChIKeyFLCFAVYKPJWOPU-UHFFFAOYSA-N
MW328.44 g/mol
LogP2.61
Rot. Bonds6

About 2-(3-methylphenoxy)-N-(2-phenylethylcarbamothioyl)acetamide

2-(3-methylphenoxy)-N-(2-phenylethylcarbamothioyl)acetamide (PubChem CID 4659062) has the molecular formula C18H20N2O2S and a molecular weight of 328.44 g/mol. Its IUPAC name is 2-(3-methylphenoxy)-N-(2-phenylethylcarbamothioyl)acetamide.

Molecular Properties

Compound Name2-(3-methylphenoxy)-N-(2-phenylethylcarbamothioyl)acetamide
PubChem CID4659062
Molecular FormulaC18H20N2O2S
Molecular Weight328.44 g/mol
Exact Mass328.12
IUPAC Name2-(3-methylphenoxy)-N-(2-phenylethylcarbamothioyl)acetamide
SMILESCc1cccc(OCC(=O)NC(=S)NCCc2ccccc2)c1
InChIInChI=1S/C18H20N2O2S/c1-14-6-5-9-16(12-14)22-13-17(21)20-18(23)19-11-10-15-7-3-2-4-8-15/h2-9,12H,10-11,13H2,1H3,(H2,19,20,21,23)
InChIKeyFLCFAVYKPJWOPU-UHFFFAOYSA-N
XLogP2.61
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methylphenoxy)-N-(2-phenylethylcarbamothioyl)acetamide
CID 4659061
N-(heptylcarbamothioyl)-2-(3-methylphenoxy)acetamide
CID 4634965
N-[2-(cyclohexen-1-yl)ethylcarbamothioyl]-2-(3-methylphenoxy)acetamide
CID 4635152
3-[2-[[2-(3-methylphenoxy)acetyl]amino]ethyl]benzamide
CID 51108003
N-[[3-(hydroxymethyl)phenyl]carbamothioyl]-2-(3-methylphenoxy)acetamide
CID 920459
N-[(3-methylphenyl)carbamothioyl]-2-phenoxyacetamide
CID 769592
2-(3-methylphenoxy)-N-[2-(4-methylsulfonylphenyl)ethyl]acetamide
CID 110790654
3-phenylpropyl 5-[[[2-(3-methylphenoxy)acetyl]amino]carbamothioylamino]-5-oxopentanoate
CID 4923544
2-(3-methylphenoxy)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 40613651
N-[3-(3-methoxyphenyl)propyl]-2-(3-methylphenoxy)acetamide
CID 95172598
N-[3-(3-hydroxyphenyl)propyl]-2-(3-methylphenoxy)acetamide
CID 110667280
2-(2,4-dichlorophenoxy)-N-(2-phenylethylcarbamothioyl)acetamide
CID 4659055

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenoxy)-N-(2-phenylethylcarbamothioyl)acetamide?
The IUPAC name of 2-(3-methylphenoxy)-N-(2-phenylethylcarbamothioyl)acetamide (CID 4659062) is 2-(3-methylphenoxy)-N-(2-phenylethylcarbamothioyl)acetamide.
What is the SMILES notation for 2-(3-methylphenoxy)-N-(2-phenylethylcarbamothioyl)acetamide?
The canonical SMILES for 2-(3-methylphenoxy)-N-(2-phenylethylcarbamothioyl)acetamide is Cc1cccc(OCC(=O)NC(=S)NCCc2ccccc2)c1.
What is the InChIKey of 2-(3-methylphenoxy)-N-(2-phenylethylcarbamothioyl)acetamide?
The InChIKey is FLCFAVYKPJWOPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2S/c1-14-6-5-9-16(12-14)22-13-17(21)20-18(23)19-11-10-15-7-3-2-4-8-15/h2-9,12H,10-11,13H2,1H3,(H2,19,20,21,23).
What are the key properties of 2-(3-methylphenoxy)-N-(2-phenylethylcarbamothioyl)acetamide?
2-(3-methylphenoxy)-N-(2-phenylethylcarbamothioyl)acetamide has a molecular weight of 328.44 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenoxy)-N-(2-phenylethylcarbamothioyl)acetamide is sourced from PubChem (CID 4659062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).