2-(2-chlorophenoxy)-N-(naphthalen-1-ylcarbamothioyl)acetamide

C19H15ClN2O2S — CID 4990404

IUPAC2-(2-chlorophenoxy)-N-(naphthalen-1-ylcarbamothioyl)acetamide
SMILESO=C(COc1ccccc1Cl)NC(=S)Nc1cccc2ccccc12
InChIInChI=1S/C19H15ClN2O2S/c20-15-9-3-4-11-17(15)24-12-18(23)22-19(25)21-16-10-5-7-13-6-1-2-8-14(13)16/h1-11H,12H2,(H2,21,22,23,25)
InChIKeyLMEIRFROPYITSZ-UHFFFAOYSA-N
MW370.86 g/mol
LogP4.39
Rot. Bonds4

About 2-(2-chlorophenoxy)-N-(naphthalen-1-ylcarbamothioyl)acetamide

2-(2-chlorophenoxy)-N-(naphthalen-1-ylcarbamothioyl)acetamide (PubChem CID 4990404) has the molecular formula C19H15ClN2O2S and a molecular weight of 370.86 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-N-(naphthalen-1-ylcarbamothioyl)acetamide.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-N-(naphthalen-1-ylcarbamothioyl)acetamide
PubChem CID4990404
Molecular FormulaC19H15ClN2O2S
Molecular Weight370.86 g/mol
Exact Mass370.05
IUPAC Name2-(2-chlorophenoxy)-N-(naphthalen-1-ylcarbamothioyl)acetamide
SMILESO=C(COc1ccccc1Cl)NC(=S)Nc1cccc2ccccc12
InChIInChI=1S/C19H15ClN2O2S/c20-15-9-3-4-11-17(15)24-12-18(23)22-19(25)21-16-10-5-7-13-6-1-2-8-14(13)16/h1-11H,12H2,(H2,21,22,23,25)
InChIKeyLMEIRFROPYITSZ-UHFFFAOYSA-N
XLogP4.39
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.86
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2-chlorophenoxy)-N-(naphthalen-1-ylcarbamothioyl)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-naphthalen-1-yloxy-N-[(2,4,5-trichlorophenyl)carbamothioyl]acetamide
CID 3394643
2-(4-chlorophenoxy)-N-(naphthalen-1-ylcarbamothioyl)acetamide
CID 4632228
2-(2-chlorophenoxy)-N-(naphthalen-2-ylcarbamothioyl)acetamide
CID 1016441
2-(2,5-dimethylphenoxy)-N-(naphthalen-1-ylcarbamothioyl)acetamide
CID 5207867
2-(2-chlorophenoxy)-N-[(2-methyl-3-nitrophenyl)carbamothioyl]acetamide
CID 5209582
N-[(6-hydroxynaphthalen-1-yl)carbamothioyl]-2-(2-methylphenoxy)acetamide
CID 2229345
2-(2-chlorophenoxy)-N-[2-[[2-(2-chlorophenoxy)acetyl]amino]phenyl]acetamide
CID 1032604
2-[[2-(2-chlorophenoxy)acetyl]-methylamino]-N-naphthalen-1-ylacetamide
CID 4822554
N-[[[2-(2-chlorophenoxy)acetyl]amino]carbamothioyl]-2-(2-methoxyphenoxy)acetamide
CID 4506696
2-(2,5-dichlorophenoxy)-N-naphthalen-1-ylacetamide
CID 19167989
2-(2-chlorophenoxy)-N-[[[2-(4-methoxyphenoxy)acetyl]amino]carbamothioyl]acetamide
CID 3378134
methyl 4-[[2-(2-chlorophenoxy)acetyl]carbamothioylamino]benzoate
CID 5254098

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-N-(naphthalen-1-ylcarbamothioyl)acetamide?
The IUPAC name of 2-(2-chlorophenoxy)-N-(naphthalen-1-ylcarbamothioyl)acetamide (CID 4990404) is 2-(2-chlorophenoxy)-N-(naphthalen-1-ylcarbamothioyl)acetamide.
What is the SMILES notation for 2-(2-chlorophenoxy)-N-(naphthalen-1-ylcarbamothioyl)acetamide?
The canonical SMILES for 2-(2-chlorophenoxy)-N-(naphthalen-1-ylcarbamothioyl)acetamide is O=C(COc1ccccc1Cl)NC(=S)Nc1cccc2ccccc12.
What is the InChIKey of 2-(2-chlorophenoxy)-N-(naphthalen-1-ylcarbamothioyl)acetamide?
The InChIKey is LMEIRFROPYITSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2O2S/c20-15-9-3-4-11-17(15)24-12-18(23)22-19(25)21-16-10-5-7-13-6-1-2-8-14(13)16/h1-11H,12H2,(H2,21,22,23,25).
What are the key properties of 2-(2-chlorophenoxy)-N-(naphthalen-1-ylcarbamothioyl)acetamide?
2-(2-chlorophenoxy)-N-(naphthalen-1-ylcarbamothioyl)acetamide has a molecular weight of 370.86 g/mol, XLogP of 4.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-N-(naphthalen-1-ylcarbamothioyl)acetamide is sourced from PubChem (CID 4990404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).