N-[(2-chlorophenyl)carbamothioyl]-2-(2-oxo-5-pentyloxolan-3-yl)acetamide

HCID 3100719

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Basic information

CAS: 328071-01-8
Standard SMILES: CCCCCC1CC(CC(=O)NC(=S)Nc2ccccc2Cl)C(=O)O1
InChIKey: USYPSOXZEGPBPI-UHFFFAOYSA-N
Molecular formula: C18H23ClN2O3S
Average molar mass: 382.9 g/mol
Monoisotopic mass: 382.1117915

Names & identifiers

Preferred name: N-[(2-chlorophenyl)carbamothioyl]-2-(2-oxo-5-pentyloxolan-3-yl)acetamide
IUPAC: N-[(2-chlorophenyl)carbamothioyl]-2-(2-oxo-5-pentyloxolan-3-yl)acetamide

Names & synonyms

N-[(2-chlorophenyl)carbamothioyl]-2-(2-oxo-5-pentyloxolan-3-yl)acetamideN-((2-chlorophenyl)carbamothioyl)-2-(2-oxo-5-pentyltetrahydrofuran-3-yl)acetamideN-[(2-chlorophenyl)carbamothioyl]-2-(2-oxo-5-pentyltetrahydrofuran-3-yl)acetamide328071-01-8MLS000712451CHEMBL1486076DTXSID301324595HMS2690I23STK079681AKOS000506206AKOS021999374SMR000282218

Show more names

1-(2-CHLOROPHENYL)-3-[2-(2-OXO-5-PENTYLOXOLAN-3-YL)ACETYL]THIOUREA

Database identifiers

CAS: 328071-01-8
PubChem CID: 3100719
DTXSID: DTXSID301324595
ChEMBL: CHEMBL1486076

Properties

Computed structural properties

XLogP: 4.8
Topological polar surface area: 99.5 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 7
Heavy atoms: 25
Formal charge: 0
Complexity: 489

Experimental & physicochemical properties

Solubility1.4 [ug/mL] (The mean of the results at pH 7.4)

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