2-(2,4-dichlorophenoxy)-N-(2-phenylethylcarbamothioyl)acetamide

C17H16Cl2N2O2S — CID 4659055

IUPAC2-(2,4-dichlorophenoxy)-N-(2-phenylethylcarbamothioyl)acetamide
SMILESO=C(COc1ccc(Cl)cc1Cl)NC(=S)NCCc1ccccc1
InChIInChI=1S/C17H16Cl2N2O2S/c18-13-6-7-15(14(19)10-13)23-11-16(22)21-17(24)20-9-8-12-4-2-1-3-5-12/h1-7,10H,8-9,11H2,(H2,20,21,22,24)
InChIKeyCUYGYCYEZXVMTA-UHFFFAOYSA-N
MW383.30 g/mol
LogP3.61
Rot. Bonds6

About 2-(2,4-dichlorophenoxy)-N-(2-phenylethylcarbamothioyl)acetamide

2-(2,4-dichlorophenoxy)-N-(2-phenylethylcarbamothioyl)acetamide (PubChem CID 4659055) has the molecular formula C17H16Cl2N2O2S and a molecular weight of 383.30 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-(2-phenylethylcarbamothioyl)acetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-(2-phenylethylcarbamothioyl)acetamide
PubChem CID4659055
Molecular FormulaC17H16Cl2N2O2S
Molecular Weight383.30 g/mol
Exact Mass382.03
IUPAC Name2-(2,4-dichlorophenoxy)-N-(2-phenylethylcarbamothioyl)acetamide
SMILESO=C(COc1ccc(Cl)cc1Cl)NC(=S)NCCc1ccccc1
InChIInChI=1S/C17H16Cl2N2O2S/c18-13-6-7-15(14(19)10-13)23-11-16(22)21-17(24)20-9-8-12-4-2-1-3-5-12/h1-7,10H,8-9,11H2,(H2,20,21,22,24)
InChIKeyCUYGYCYEZXVMTA-UHFFFAOYSA-N
XLogP3.61
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.30
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2,4-dichlorophenoxy)-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-(2,4-dichlorophenoxy)-N-(phenylcarbamothioyl)acetamide
CID 4630939
N-(aminocarbamothioyl)-2-(2,4-dichlorophenoxy)acetamide
CID 134122788
3-chloro-4-[2-oxo-2-(2-phenylethylamino)ethoxy]benzoic acid
CID 45418647
N-benzyl-3-[[2-(2,4-dichlorophenoxy)acetyl]amino]propanamide
CID 60608572
2-(2,4-dichlorophenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 1101338
N-[[[2-(2,4-dichlorophenoxy)acetyl]amino]carbamothioyl]-2-(2-methoxyphenoxy)acetamide
CID 4506243
N-[[[2-(2,4-dichlorophenoxy)acetyl]amino]carbamothioyl]-4-(2-phenylethoxy)benzamide
CID 4957177
2-(4-methylphenoxy)-N-(2-phenylethylcarbamothioyl)acetamide
CID 4659061
1-[[2-(4-chlorophenoxy)acetyl]amino]-3-(2-phenylethyl)thiourea
CID 27036527
N-[3-(2,4-dichlorophenoxy)propylcarbamothioyl]benzamide
CID 134087190
2-(3-methylphenoxy)-N-(2-phenylethylcarbamothioyl)acetamide
CID 4659062
3-(4-chlorophenyl)-N-[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]ethyl]propanamide
CID 108541625

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-(2-phenylethylcarbamothioyl)acetamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-(2-phenylethylcarbamothioyl)acetamide (CID 4659055) is 2-(2,4-dichlorophenoxy)-N-(2-phenylethylcarbamothioyl)acetamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-(2-phenylethylcarbamothioyl)acetamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-(2-phenylethylcarbamothioyl)acetamide is O=C(COc1ccc(Cl)cc1Cl)NC(=S)NCCc1ccccc1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-(2-phenylethylcarbamothioyl)acetamide?
The InChIKey is CUYGYCYEZXVMTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2O2S/c18-13-6-7-15(14(19)10-13)23-11-16(22)21-17(24)20-9-8-12-4-2-1-3-5-12/h1-7,10H,8-9,11H2,(H2,20,21,22,24).
What are the key properties of 2-(2,4-dichlorophenoxy)-N-(2-phenylethylcarbamothioyl)acetamide?
2-(2,4-dichlorophenoxy)-N-(2-phenylethylcarbamothioyl)acetamide has a molecular weight of 383.30 g/mol, XLogP of 3.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-(2-phenylethylcarbamothioyl)acetamide is sourced from PubChem (CID 4659055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).