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

C20H20Cl2N2O2S — CID 126252562

IUPACN-(2-chlorophenyl)-2-[2-chloro-4-(piperidine-1-carbothioyl)phenoxy]acetamide
SMILESO=C(COc1ccc(C(=S)N2CCCCC2)cc1Cl)Nc1ccccc1Cl
InChIInChI=1S/C20H20Cl2N2O2S/c21-15-6-2-3-7-17(15)23-19(25)13-26-18-9-8-14(12-16(18)22)20(27)24-10-4-1-5-11-24/h2-3,6-9,12H,1,4-5,10-11,13H2,(H,23,25)
InChIKeyHMKGBHVSEKQEMG-UHFFFAOYSA-N
MW423.37 g/mol
LogP5.17
Rot. Bonds5

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

N-(2-chlorophenyl)-2-[2-chloro-4-(piperidine-1-carbothioyl)phenoxy]acetamide (PubChem CID 126252562) has the molecular formula C20H20Cl2N2O2S and a molecular weight of 423.37 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-[2-chloro-4-(piperidine-1-carbothioyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-[2-chloro-4-(piperidine-1-carbothioyl)phenoxy]acetamide
PubChem CID126252562
Molecular FormulaC20H20Cl2N2O2S
Molecular Weight423.37 g/mol
Exact Mass422.06
IUPAC NameN-(2-chlorophenyl)-2-[2-chloro-4-(piperidine-1-carbothioyl)phenoxy]acetamide
SMILESO=C(COc1ccc(C(=S)N2CCCCC2)cc1Cl)Nc1ccccc1Cl
InChIInChI=1S/C20H20Cl2N2O2S/c21-15-6-2-3-7-17(15)23-19(25)13-26-18-9-8-14(12-16(18)22)20(27)24-10-4-1-5-11-24/h2-3,6-9,12H,1,4-5,10-11,13H2,(H,23,25)
InChIKeyHMKGBHVSEKQEMG-UHFFFAOYSA-N
XLogP5.17
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.37
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-chloro-4-(piperidine-1-carbothioyl)phenoxy]-N-phenylacetamide
CID 126259259
N-(3-chloro-2-methylphenyl)-2-[2-ethoxy-4-(pyrrolidine-1-carbothioyl)phenoxy]acetamide
CID 126252032
N-[2-(azepane-1-carbonyl)phenyl]-2-(4-bromo-2-chlorophenoxy)acetamide
CID 4937939
N-(2-chlorophenyl)-2-(2,4-dichlorophenoxy)acetamide
CID 744320
N-(2-chlorophenyl)-2-[4-[4-(4-fluorophenyl)piperazine-1-carbothioyl]-2-methoxyphenoxy]acetamide
CID 126267512
N-(2-chlorophenyl)-2-[2-ethoxy-4-[4-(2-fluorophenyl)piperazine-1-carbothioyl]phenoxy]acetamide
CID 126273019
2-[4-(4-benzylpiperidine-1-carbothioyl)-2-ethoxyphenoxy]-N-(2-chlorophenyl)acetamide
CID 126268953
N-(2,4-dichlorophenyl)-2-[4-(pyrrolidine-1-carbothioyl)phenoxy]acetamide
CID 126248488
2-(2-chloro-4-fluorophenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 46419749
N-(2-bromophenyl)-2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)acetamide
CID 4304721
2-[2-chloro-4-(4-methylpiperazin-4-ium-1-carbothioyl)phenoxy]-N-(2,4-dimethylphenyl)acetamide
CID 2205020
N-(4-chlorophenyl)-2-[2-ethoxy-4-(piperidine-1-carbothioyl)phenoxy]acetamide
CID 1285420

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-[2-chloro-4-(piperidine-1-carbothioyl)phenoxy]acetamide?
The IUPAC name of N-(2-chlorophenyl)-2-[2-chloro-4-(piperidine-1-carbothioyl)phenoxy]acetamide (CID 126252562) is N-(2-chlorophenyl)-2-[2-chloro-4-(piperidine-1-carbothioyl)phenoxy]acetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-[2-chloro-4-(piperidine-1-carbothioyl)phenoxy]acetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-[2-chloro-4-(piperidine-1-carbothioyl)phenoxy]acetamide is O=C(COc1ccc(C(=S)N2CCCCC2)cc1Cl)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-2-[2-chloro-4-(piperidine-1-carbothioyl)phenoxy]acetamide?
The InChIKey is HMKGBHVSEKQEMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl2N2O2S/c21-15-6-2-3-7-17(15)23-19(25)13-26-18-9-8-14(12-16(18)22)20(27)24-10-4-1-5-11-24/h2-3,6-9,12H,1,4-5,10-11,13H2,(H,23,25).
What are the key properties of N-(2-chlorophenyl)-2-[2-chloro-4-(piperidine-1-carbothioyl)phenoxy]acetamide?
N-(2-chlorophenyl)-2-[2-chloro-4-(piperidine-1-carbothioyl)phenoxy]acetamide has a molecular weight of 423.37 g/mol, XLogP of 5.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-[2-chloro-4-(piperidine-1-carbothioyl)phenoxy]acetamide is sourced from PubChem (CID 126252562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).