2-(2,5-dimethylphenoxy)-N-[(4-fluorophenyl)carbamothioyl]acetamide

C17H17FN2O2S — CID 916660

IUPAC2-(2,5-dimethylphenoxy)-N-[(4-fluorophenyl)carbamothioyl]acetamide
SMILESCc1ccc(C)c(OCC(=O)NC(=S)Nc2ccc(F)cc2)c1
InChIInChI=1S/C17H17FN2O2S/c1-11-3-4-12(2)15(9-11)22-10-16(21)20-17(23)19-14-7-5-13(18)6-8-14/h3-9H,10H2,1-2H3,(H2,19,20,21,23)
InChIKeyJJDQNXKXZBUGPT-UHFFFAOYSA-N
MW332.40 g/mol
LogP3.33
Rot. Bonds4

About 2-(2,5-dimethylphenoxy)-N-[(4-fluorophenyl)carbamothioyl]acetamide

2-(2,5-dimethylphenoxy)-N-[(4-fluorophenyl)carbamothioyl]acetamide (PubChem CID 916660) has the molecular formula C17H17FN2O2S and a molecular weight of 332.40 g/mol. Its IUPAC name is 2-(2,5-dimethylphenoxy)-N-[(4-fluorophenyl)carbamothioyl]acetamide.

Molecular Properties

Compound Name2-(2,5-dimethylphenoxy)-N-[(4-fluorophenyl)carbamothioyl]acetamide
PubChem CID916660
Molecular FormulaC17H17FN2O2S
Molecular Weight332.40 g/mol
Exact Mass332.10
IUPAC Name2-(2,5-dimethylphenoxy)-N-[(4-fluorophenyl)carbamothioyl]acetamide
SMILESCc1ccc(C)c(OCC(=O)NC(=S)Nc2ccc(F)cc2)c1
InChIInChI=1S/C17H17FN2O2S/c1-11-3-4-12(2)15(9-11)22-10-16(21)20-17(23)19-14-7-5-13(18)6-8-14/h3-9H,10H2,1-2H3,(H2,19,20,21,23)
InChIKeyJJDQNXKXZBUGPT-UHFFFAOYSA-N
XLogP3.33
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2,5-dimethylphenoxy)-N-[(4-fluorophenyl)carbamothioyl]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-(2,5-dimethylphenoxy)-N-[(4-nitrophenyl)carbamothioyl]acetamide
CID 5207866
2-(2,5-dimethylphenoxy)-N-[(2,4-dimethylphenyl)carbamothioyl]acetamide
CID 916665
2-(2,5-dimethylphenoxy)-N-[[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]carbamothioyl]acetamide
CID 5208543
N-[(2-bromo-4-methylphenyl)carbamothioyl]-2-(2,5-dimethylphenoxy)acetamide
CID 1188241
2-(2,5-dimethylphenoxy)-N-[(4-piperidin-1-ylsulfonylphenyl)carbamothioyl]acetamide
CID 5208356
1-[[2-(2,5-dimethylphenoxy)acetyl]amino]-3-(4-ethylphenyl)thiourea
CID 7988123
N-[(4-chloro-2-methylphenyl)carbamothioyl]-2-(2,5-dimethylphenoxy)acetamide
CID 19188042
N-[(carbamothioylamino)carbamothioyl]-2-(2,5-dimethylphenoxy)acetamide
CID 3462202
2-(2,4-dibromophenoxy)-N-[(4-fluorophenyl)carbamothioyl]acetamide
CID 3310435
N-[(4-acetamidophenyl)carbamothioyl]-2-(2-bromo-4-methylphenoxy)acetamide
CID 3288534
2-(2,5-dimethylphenoxy)-N-(5-fluoro-2-methylphenyl)acetamide
CID 35728477
2-(2,5-dimethylphenoxy)-N-(naphthalen-1-ylcarbamothioyl)acetamide
CID 5207867

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenoxy)-N-[(4-fluorophenyl)carbamothioyl]acetamide?
The IUPAC name of 2-(2,5-dimethylphenoxy)-N-[(4-fluorophenyl)carbamothioyl]acetamide (CID 916660) is 2-(2,5-dimethylphenoxy)-N-[(4-fluorophenyl)carbamothioyl]acetamide.
What is the SMILES notation for 2-(2,5-dimethylphenoxy)-N-[(4-fluorophenyl)carbamothioyl]acetamide?
The canonical SMILES for 2-(2,5-dimethylphenoxy)-N-[(4-fluorophenyl)carbamothioyl]acetamide is Cc1ccc(C)c(OCC(=O)NC(=S)Nc2ccc(F)cc2)c1.
What is the InChIKey of 2-(2,5-dimethylphenoxy)-N-[(4-fluorophenyl)carbamothioyl]acetamide?
The InChIKey is JJDQNXKXZBUGPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O2S/c1-11-3-4-12(2)15(9-11)22-10-16(21)20-17(23)19-14-7-5-13(18)6-8-14/h3-9H,10H2,1-2H3,(H2,19,20,21,23).
What are the key properties of 2-(2,5-dimethylphenoxy)-N-[(4-fluorophenyl)carbamothioyl]acetamide?
2-(2,5-dimethylphenoxy)-N-[(4-fluorophenyl)carbamothioyl]acetamide has a molecular weight of 332.40 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenoxy)-N-[(4-fluorophenyl)carbamothioyl]acetamide is sourced from PubChem (CID 916660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).