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

C15H12Cl2N2O2S — CID 4630939

IUPAC2-(2,4-dichlorophenoxy)-N-(phenylcarbamothioyl)acetamide
SMILESO=C(COc1ccc(Cl)cc1Cl)NC(=S)Nc1ccccc1
InChIInChI=1S/C15H12Cl2N2O2S/c16-10-6-7-13(12(17)8-10)21-9-14(20)19-15(22)18-11-4-2-1-3-5-11/h1-8H,9H2,(H2,18,19,20,22)
InChIKeyPMKHHSIEMBLFOJ-UHFFFAOYSA-N
MW355.25 g/mol
LogP3.89
Rot. Bonds4

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

2-(2,4-dichlorophenoxy)-N-(phenylcarbamothioyl)acetamide (PubChem CID 4630939) has the molecular formula C15H12Cl2N2O2S and a molecular weight of 355.25 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-(phenylcarbamothioyl)acetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-(phenylcarbamothioyl)acetamide
PubChem CID4630939
Molecular FormulaC15H12Cl2N2O2S
Molecular Weight355.25 g/mol
Exact Mass354.00
IUPAC Name2-(2,4-dichlorophenoxy)-N-(phenylcarbamothioyl)acetamide
SMILESO=C(COc1ccc(Cl)cc1Cl)NC(=S)Nc1ccccc1
InChIInChI=1S/C15H12Cl2N2O2S/c16-10-6-7-13(12(17)8-10)21-9-14(20)19-15(22)18-11-4-2-1-3-5-11/h1-8H,9H2,(H2,18,19,20,22)
InChIKeyPMKHHSIEMBLFOJ-UHFFFAOYSA-N
XLogP3.89
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.25
LogP ≤ 53.89
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-(phenylcarbamothioyl)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-chloro-4-[[2-(2,4-dichlorophenoxy)acetyl]carbamothioylamino]benzoic acid
CID 1328323
N-[(3,5-dibromo-4-hydroxyphenyl)carbamothioyl]-2-(2,4-dichlorophenoxy)acetamide
CID 5241257
N-[[4-[acetyl(methyl)amino]phenyl]carbamothioyl]-2-(2,4-dichlorophenoxy)acetamide
CID 4630948
N-(aminocarbamothioyl)-2-(2,4-dichlorophenoxy)acetamide
CID 134122788
N-[[[2-(2,4-dichlorophenoxy)acetyl]amino]carbamothioyl]-2-(2-methoxyphenoxy)acetamide
CID 4506243
2-(2,4-dichlorophenoxy)-N-(2-phenylethylcarbamothioyl)acetamide
CID 4659055
N-[4-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]-2-phenylacetamide
CID 3372417
3-chloro-N-[4-[[2-(2-chlorophenoxy)acetyl]carbamothioylamino]phenyl]benzamide
CID 5153630
2-(2-chlorophenoxy)-N-(naphthalen-2-ylcarbamothioyl)acetamide
CID 1016441
N-[(3,5-dichlorophenyl)carbamothioyl]-2-phenoxyacetamide
CID 1014402
N-[(2-bromo-4-methylphenyl)carbamothioyl]-2-(2,4-dichlorophenoxy)acetamide
CID 19167851
methyl 4-[[2-(2-chlorophenoxy)acetyl]carbamothioylamino]benzoate
CID 5254098

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-(phenylcarbamothioyl)acetamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-(phenylcarbamothioyl)acetamide (CID 4630939) is 2-(2,4-dichlorophenoxy)-N-(phenylcarbamothioyl)acetamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-(phenylcarbamothioyl)acetamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-(phenylcarbamothioyl)acetamide is O=C(COc1ccc(Cl)cc1Cl)NC(=S)Nc1ccccc1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-(phenylcarbamothioyl)acetamide?
The InChIKey is PMKHHSIEMBLFOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N2O2S/c16-10-6-7-13(12(17)8-10)21-9-14(20)19-15(22)18-11-4-2-1-3-5-11/h1-8H,9H2,(H2,18,19,20,22).
What are the key properties of 2-(2,4-dichlorophenoxy)-N-(phenylcarbamothioyl)acetamide?
2-(2,4-dichlorophenoxy)-N-(phenylcarbamothioyl)acetamide has a molecular weight of 355.25 g/mol, XLogP of 3.89, 4 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-(phenylcarbamothioyl)acetamide is sourced from PubChem (CID 4630939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).