2-[2-chloro-4-(piperidine-1-carbothioyl)phenoxy]-N-phenylacetamide

C20H21ClN2O2S — CID 126259259

IUPAC2-[2-chloro-4-(piperidine-1-carbothioyl)phenoxy]-N-phenylacetamide
SMILESO=C(COc1ccc(C(=S)N2CCCCC2)cc1Cl)Nc1ccccc1
InChIInChI=1S/C20H21ClN2O2S/c21-17-13-15(20(26)23-11-5-2-6-12-23)9-10-18(17)25-14-19(24)22-16-7-3-1-4-8-16/h1,3-4,7-10,13H,2,5-6,11-12,14H2,(H,22,24)
InChIKeyYPPNGRRFFSQOEX-UHFFFAOYSA-N
MW388.92 g/mol
LogP4.52
Rot. Bonds5

About 2-[2-chloro-4-(piperidine-1-carbothioyl)phenoxy]-N-phenylacetamide

2-[2-chloro-4-(piperidine-1-carbothioyl)phenoxy]-N-phenylacetamide (PubChem CID 126259259) has the molecular formula C20H21ClN2O2S and a molecular weight of 388.92 g/mol. Its IUPAC name is 2-[2-chloro-4-(piperidine-1-carbothioyl)phenoxy]-N-phenylacetamide.

Molecular Properties

Compound Name2-[2-chloro-4-(piperidine-1-carbothioyl)phenoxy]-N-phenylacetamide
PubChem CID126259259
Molecular FormulaC20H21ClN2O2S
Molecular Weight388.92 g/mol
Exact Mass388.10
IUPAC Name2-[2-chloro-4-(piperidine-1-carbothioyl)phenoxy]-N-phenylacetamide
SMILESO=C(COc1ccc(C(=S)N2CCCCC2)cc1Cl)Nc1ccccc1
InChIInChI=1S/C20H21ClN2O2S/c21-17-13-15(20(26)23-11-5-2-6-12-23)9-10-18(17)25-14-19(24)22-16-7-3-1-4-8-16/h1,3-4,7-10,13H,2,5-6,11-12,14H2,(H,22,24)
InChIKeyYPPNGRRFFSQOEX-UHFFFAOYSA-N
XLogP4.52
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.92
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[2-chloro-4-(piperidine-1-carbothioyl)phenoxy]-N-phenylacetamide 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

N-(2-chlorophenyl)-2-[2-chloro-4-(piperidine-1-carbothioyl)phenoxy]acetamide
CID 126252562
N-(4-chlorophenyl)-2-[2-ethoxy-4-(piperidine-1-carbothioyl)phenoxy]acetamide
CID 1285420
2-[2-chloro-4-(4-methylpiperazine-1-carbothioyl)phenoxy]-N-(4-ethylphenyl)acetamide
CID 126251330
2-(4-bromo-2-chlorophenoxy)-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 26161547
2-(2-chlorophenoxy)-N-phenylacetamide
CID 853450
N-(3,4-dichlorophenyl)-2-[4-(piperidine-1-carbothioyl)phenoxy]acetamide
CID 126227959
N-(3-chloro-4-fluorophenyl)-2-[2-methoxy-4-(pyrrolidine-1-carbothioyl)phenoxy]acetamide
CID 126246243
2-[2-iodo-6-methoxy-4-(piperidine-1-carbothioyl)phenoxy]-N-phenylacetamide
CID 126263104
N-[4-(azepan-1-yl)phenyl]-2-(2-chlorophenoxy)acetamide
CID 7582236
2-(2-chlorophenoxy)-N-(4-piperidin-1-ylphenyl)acetamide
CID 7922500
N-(3-chloro-2-methylphenyl)-2-[2-ethoxy-4-(pyrrolidine-1-carbothioyl)phenoxy]acetamide
CID 126252032
2-[2-chloro-4-[4-(4-fluorophenyl)piperazine-1-carbothioyl]phenoxy]-N-(4-ethylphenyl)acetamide
CID 126267193

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-4-(piperidine-1-carbothioyl)phenoxy]-N-phenylacetamide?
The IUPAC name of 2-[2-chloro-4-(piperidine-1-carbothioyl)phenoxy]-N-phenylacetamide (CID 126259259) is 2-[2-chloro-4-(piperidine-1-carbothioyl)phenoxy]-N-phenylacetamide.
What is the SMILES notation for 2-[2-chloro-4-(piperidine-1-carbothioyl)phenoxy]-N-phenylacetamide?
The canonical SMILES for 2-[2-chloro-4-(piperidine-1-carbothioyl)phenoxy]-N-phenylacetamide is O=C(COc1ccc(C(=S)N2CCCCC2)cc1Cl)Nc1ccccc1.
What is the InChIKey of 2-[2-chloro-4-(piperidine-1-carbothioyl)phenoxy]-N-phenylacetamide?
The InChIKey is YPPNGRRFFSQOEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O2S/c21-17-13-15(20(26)23-11-5-2-6-12-23)9-10-18(17)25-14-19(24)22-16-7-3-1-4-8-16/h1,3-4,7-10,13H,2,5-6,11-12,14H2,(H,22,24).
What are the key properties of 2-[2-chloro-4-(piperidine-1-carbothioyl)phenoxy]-N-phenylacetamide?
2-[2-chloro-4-(piperidine-1-carbothioyl)phenoxy]-N-phenylacetamide has a molecular weight of 388.92 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-4-(piperidine-1-carbothioyl)phenoxy]-N-phenylacetamide is sourced from PubChem (CID 126259259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).