2-(4-methylphenoxy)-N-(2-phenylethylcarbamothioyl)acetamide

C18H20N2O2S — CID 4659061

IUPAC2-(4-methylphenoxy)-N-(2-phenylethylcarbamothioyl)acetamide
SMILESCc1ccc(OCC(=O)NC(=S)NCCc2ccccc2)cc1
InChIInChI=1S/C18H20N2O2S/c1-14-7-9-16(10-8-14)22-13-17(21)20-18(23)19-12-11-15-5-3-2-4-6-15/h2-10H,11-13H2,1H3,(H2,19,20,21,23)
InChIKeyWSXOVEJUGURMRZ-UHFFFAOYSA-N
MW328.44 g/mol
LogP2.61
Rot. Bonds6

About 2-(4-methylphenoxy)-N-(2-phenylethylcarbamothioyl)acetamide

2-(4-methylphenoxy)-N-(2-phenylethylcarbamothioyl)acetamide (PubChem CID 4659061) has the molecular formula C18H20N2O2S and a molecular weight of 328.44 g/mol. Its IUPAC name is 2-(4-methylphenoxy)-N-(2-phenylethylcarbamothioyl)acetamide.

Molecular Properties

Compound Name2-(4-methylphenoxy)-N-(2-phenylethylcarbamothioyl)acetamide
PubChem CID4659061
Molecular FormulaC18H20N2O2S
Molecular Weight328.44 g/mol
Exact Mass328.12
IUPAC Name2-(4-methylphenoxy)-N-(2-phenylethylcarbamothioyl)acetamide
SMILESCc1ccc(OCC(=O)NC(=S)NCCc2ccccc2)cc1
InChIInChI=1S/C18H20N2O2S/c1-14-7-9-16(10-8-14)22-13-17(21)20-18(23)19-12-11-15-5-3-2-4-6-15/h2-10H,11-13H2,1H3,(H2,19,20,21,23)
InChIKeyWSXOVEJUGURMRZ-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'}

Analyze 2-(4-methylphenoxy)-N-(2-phenylethylcarbamothioyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-methylphenoxy)-N-(2-phenylethylcarbamothioyl)acetamide
CID 4659062
N-(heptylcarbamothioyl)-2-(4-methylphenoxy)acetamide
CID 4634200
1-[[2-(4-chlorophenoxy)acetyl]amino]-3-(2-phenylethyl)thiourea
CID 27036527
N-[2-(4-aminophenyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 39384693
N-[2-(4-methylphenyl)ethylcarbamothioyl]benzamide
CID 88874738
N-[2-(4-chlorophenyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 2632440
N-(2-phenylethylcarbamothioyl)butanamide
CID 5209312
(4-methylphenyl) N-(2-phenylethyl)carbamate
CID 10801006
N'-[2-(4-methylphenoxy)acetyl]-2-phenylacetohydrazide
CID 968398
2-(2,4-dichlorophenoxy)-N-(2-phenylethylcarbamothioyl)acetamide
CID 4659055
methyl 2-[[2-(4-methylphenoxy)acetyl]carbamothioylamino]benzoate
CID 1344218
2-(4-methoxyphenoxy)-N-[(4-methylphenyl)carbamothioyl]acetamide
CID 922748

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenoxy)-N-(2-phenylethylcarbamothioyl)acetamide?
The IUPAC name of 2-(4-methylphenoxy)-N-(2-phenylethylcarbamothioyl)acetamide (CID 4659061) is 2-(4-methylphenoxy)-N-(2-phenylethylcarbamothioyl)acetamide.
What is the SMILES notation for 2-(4-methylphenoxy)-N-(2-phenylethylcarbamothioyl)acetamide?
The canonical SMILES for 2-(4-methylphenoxy)-N-(2-phenylethylcarbamothioyl)acetamide is Cc1ccc(OCC(=O)NC(=S)NCCc2ccccc2)cc1.
What is the InChIKey of 2-(4-methylphenoxy)-N-(2-phenylethylcarbamothioyl)acetamide?
The InChIKey is WSXOVEJUGURMRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2S/c1-14-7-9-16(10-8-14)22-13-17(21)20-18(23)19-12-11-15-5-3-2-4-6-15/h2-10H,11-13H2,1H3,(H2,19,20,21,23).
What are the key properties of 2-(4-methylphenoxy)-N-(2-phenylethylcarbamothioyl)acetamide?
2-(4-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-(4-methylphenoxy)-N-(2-phenylethylcarbamothioyl)acetamide is sourced from PubChem (CID 4659061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).