2-(4-methoxyphenyl)-N-[(4-methylphenyl)methylcarbamothioyl]acetamide

C18H20N2O2S — CID 46762020

IUPAC2-(4-methoxyphenyl)-N-[(4-methylphenyl)methylcarbamothioyl]acetamide
SMILESCOc1ccc(CC(=O)NC(=S)NCc2ccc(C)cc2)cc1
InChIInChI=1S/C18H20N2O2S/c1-13-3-5-15(6-4-13)12-19-18(23)20-17(21)11-14-7-9-16(22-2)10-8-14/h3-10H,11-12H2,1-2H3,(H2,19,20,21,23)
InChIKeySMTURQXCWPRYKH-UHFFFAOYSA-N
MW328.44 g/mol
LogP2.74
Rot. Bonds5

About 2-(4-methoxyphenyl)-N-[(4-methylphenyl)methylcarbamothioyl]acetamide

2-(4-methoxyphenyl)-N-[(4-methylphenyl)methylcarbamothioyl]acetamide (PubChem CID 46762020) has the molecular formula C18H20N2O2S and a molecular weight of 328.44 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-[(4-methylphenyl)methylcarbamothioyl]acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-[(4-methylphenyl)methylcarbamothioyl]acetamide
PubChem CID46762020
Molecular FormulaC18H20N2O2S
Molecular Weight328.44 g/mol
Exact Mass328.12
IUPAC Name2-(4-methoxyphenyl)-N-[(4-methylphenyl)methylcarbamothioyl]acetamide
SMILESCOc1ccc(CC(=O)NC(=S)NCc2ccc(C)cc2)cc1
InChIInChI=1S/C18H20N2O2S/c1-13-3-5-15(6-4-13)12-19-18(23)20-17(21)11-14-7-9-16(22-2)10-8-14/h3-10H,11-12H2,1-2H3,(H2,19,20,21,23)
InChIKeySMTURQXCWPRYKH-UHFFFAOYSA-N
XLogP2.74
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(4-methoxyphenyl)-N-[(4-methylphenyl)methylcarbamothioyl]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-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]acetamide;hydrochloride
CID 142729709
N-[(2,5-dimethylphenyl)carbamothioyl]-2-(4-methoxyphenyl)acetamide
CID 916544
2-(4-methoxyphenyl)-N-(3-methoxypropylcarbamothioyl)acetamide
CID 17140180
1-[(4-methoxyphenyl)methyl]-3-[4-(4-methylphenoxy)phenyl]thiourea
CID 18290006
N-benzyl-2-(4-methoxyphenyl)acetamide
CID 795936
N-[(4-methoxyphenyl)methyl]-4-(4-methylphenyl)-4-oxobutanamide
CID 26695901
N-[[[2-(4-chlorophenyl)acetyl]amino]carbamothioyl]-2-(4-methoxyphenyl)acetamide
CID 4938312
2-(2,4-dimethoxyphenyl)-N-[(4-methylphenyl)methyl]acetamide
CID 9428047
N-(benzylcarbamothioyl)-4-methoxybenzamide
CID 920618
N-[(4-methylphenyl)methylcarbamothioyl]-3-phenylpropanamide
CID 46762008
4-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-4-oxobutanamide
CID 20969140
N-[2-(4-methoxyphenoxy)ethyl]-N'-[(4-methylphenyl)methyl]oxamide
CID 108518165

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-[(4-methylphenyl)methylcarbamothioyl]acetamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-[(4-methylphenyl)methylcarbamothioyl]acetamide (CID 46762020) is 2-(4-methoxyphenyl)-N-[(4-methylphenyl)methylcarbamothioyl]acetamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-[(4-methylphenyl)methylcarbamothioyl]acetamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-[(4-methylphenyl)methylcarbamothioyl]acetamide is COc1ccc(CC(=O)NC(=S)NCc2ccc(C)cc2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-[(4-methylphenyl)methylcarbamothioyl]acetamide?
The InChIKey is SMTURQXCWPRYKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2S/c1-13-3-5-15(6-4-13)12-19-18(23)20-17(21)11-14-7-9-16(22-2)10-8-14/h3-10H,11-12H2,1-2H3,(H2,19,20,21,23).
What are the key properties of 2-(4-methoxyphenyl)-N-[(4-methylphenyl)methylcarbamothioyl]acetamide?
2-(4-methoxyphenyl)-N-[(4-methylphenyl)methylcarbamothioyl]acetamide has a molecular weight of 328.44 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-[(4-methylphenyl)methylcarbamothioyl]acetamide is sourced from PubChem (CID 46762020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).