2-(3-chlorophenyl)-N-(methylcarbamothioyl)acetamide

C10H11ClN2OS — CID 143657738

IUPAC2-(3-chlorophenyl)-N-(methylcarbamothioyl)acetamide
SMILESCNC(=S)NC(=O)Cc1cccc(Cl)c1
InChIInChI=1S/C10H11ClN2OS/c1-12-10(15)13-9(14)6-7-3-2-4-8(11)5-7/h2-5H,6H2,1H3,(H2,12,13,14,15)
InChIKeyUEOCVMWACRMSDC-UHFFFAOYSA-N
MW242.73 g/mol
LogP1.50
Rot. Bonds2

About 2-(3-chlorophenyl)-N-(methylcarbamothioyl)acetamide

2-(3-chlorophenyl)-N-(methylcarbamothioyl)acetamide (PubChem CID 143657738) has the molecular formula C10H11ClN2OS and a molecular weight of 242.73 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-(methylcarbamothioyl)acetamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-(methylcarbamothioyl)acetamide
PubChem CID143657738
Molecular FormulaC10H11ClN2OS
Molecular Weight242.73 g/mol
Exact Mass242.03
IUPAC Name2-(3-chlorophenyl)-N-(methylcarbamothioyl)acetamide
SMILESCNC(=S)NC(=O)Cc1cccc(Cl)c1
InChIInChI=1S/C10H11ClN2OS/c1-12-10(15)13-9(14)6-7-3-2-4-8(11)5-7/h2-5H,6H2,1H3,(H2,12,13,14,15)
InChIKeyUEOCVMWACRMSDC-UHFFFAOYSA-N
XLogP1.50
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.73
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(3-chlorophenyl)-N-(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

ethane;2-(3-fluorophenyl)-N-(methylcarbamothioyl)acetamide
CID 143768641
N-[(3-chlorophenyl)carbamothioyl]-2-phenylacetamide
CID 916501
1-(3-chlorophenyl)propan-2-one
CID 2734097
2-(3-chlorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)acetamide
CID 62504626
N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-2-(3-chlorophenyl)acetamide
CID 62503915
N-(4-amino-4-sulfanylidenebutan-2-yl)-2-(3-chlorophenyl)acetamide
CID 62505107
N-[(2S)-1-aminopropan-2-yl]-2-(3-chlorophenyl)acetamide;hydrochloride
CID 120505616
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-2-(3-chlorophenyl)acetamide
CID 62668200
ethenyl N-[2-(3-chlorophenyl)acetyl]-N'-methylcarbamimidothioate
CID 144631010
1-(3-chlorophenyl)-3,3-dimethylbutan-2-one
CID 59128725
2-(3-chlorophenyl)-N-[2-(methylaminomethyl)phenyl]acetamide
CID 62505669
2-(3-chlorophenyl)-N-[2-(dimethylamino)phenyl]acetamide
CID 53384824

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-(methylcarbamothioyl)acetamide?
The IUPAC name of 2-(3-chlorophenyl)-N-(methylcarbamothioyl)acetamide (CID 143657738) is 2-(3-chlorophenyl)-N-(methylcarbamothioyl)acetamide.
What is the SMILES notation for 2-(3-chlorophenyl)-N-(methylcarbamothioyl)acetamide?
The canonical SMILES for 2-(3-chlorophenyl)-N-(methylcarbamothioyl)acetamide is CNC(=S)NC(=O)Cc1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-N-(methylcarbamothioyl)acetamide?
The InChIKey is UEOCVMWACRMSDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2OS/c1-12-10(15)13-9(14)6-7-3-2-4-8(11)5-7/h2-5H,6H2,1H3,(H2,12,13,14,15).
What are the key properties of 2-(3-chlorophenyl)-N-(methylcarbamothioyl)acetamide?
2-(3-chlorophenyl)-N-(methylcarbamothioyl)acetamide has a molecular weight of 242.73 g/mol, XLogP of 1.50, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-(methylcarbamothioyl)acetamide is sourced from PubChem (CID 143657738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).