2-(2-chlorophenoxy)-N-(piperidine-1-carbothioyl)acetamide

C14H17ClN2O2S — CID 920664

IUPAC2-(2-chlorophenoxy)-N-(piperidine-1-carbothioyl)acetamide
SMILESO=C(COc1ccccc1Cl)NC(=S)N1CCCCC1
InChIInChI=1S/C14H17ClN2O2S/c15-11-6-2-3-7-12(11)19-10-13(18)16-14(20)17-8-4-1-5-9-17/h2-3,6-7H,1,4-5,8-10H2,(H,16,18,20)
InChIKeyXSNIWCJITTWIEV-UHFFFAOYSA-N
MW312.82 g/mol
LogP2.61
Rot. Bonds3

About 2-(2-chlorophenoxy)-N-(piperidine-1-carbothioyl)acetamide

2-(2-chlorophenoxy)-N-(piperidine-1-carbothioyl)acetamide (PubChem CID 920664) has the molecular formula C14H17ClN2O2S and a molecular weight of 312.82 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-N-(piperidine-1-carbothioyl)acetamide.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-N-(piperidine-1-carbothioyl)acetamide
PubChem CID920664
Molecular FormulaC14H17ClN2O2S
Molecular Weight312.82 g/mol
Exact Mass312.07
IUPAC Name2-(2-chlorophenoxy)-N-(piperidine-1-carbothioyl)acetamide
SMILESO=C(COc1ccccc1Cl)NC(=S)N1CCCCC1
InChIInChI=1S/C14H17ClN2O2S/c15-11-6-2-3-7-12(11)19-10-13(18)16-14(20)17-8-4-1-5-9-17/h2-3,6-7H,1,4-5,8-10H2,(H,16,18,20)
InChIKeyXSNIWCJITTWIEV-UHFFFAOYSA-N
XLogP2.61
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.82
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2-chlorophenoxy)-N-(piperidine-1-carbothioyl)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

N-(azepane-1-carbothioyl)-2-(2-chlorophenoxy)acetamide
CID 920702
2-(2-chlorophenoxy)-N-(4-methylpiperidine-1-carbothioyl)acetamide
CID 920715
2-(2-chlorophenoxy)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 134026861
2-(2-chlorophenoxy)-N-[(3-chloro-4-pyrrolidin-1-ylphenyl)carbamothioyl]acetamide
CID 1324558
N-(2-chlorophenyl)-2-[2-chloro-4-(piperidine-1-carbothioyl)phenoxy]acetamide
CID 126252562
2-[2-chloro-4-(piperidine-1-carbothioyl)phenoxy]-N-phenylacetamide
CID 126259259
2-(2-chlorophenoxy)-N-hydroxyacetamide
CID 95562486
N-[4-(azepan-1-yl)phenyl]-2-(2-chlorophenoxy)acetamide
CID 7582236
2-(2-chlorophenoxy)-N-(4-piperidin-1-ylphenyl)acetamide
CID 7922500
N-[[[2-(2-chlorophenoxy)acetyl]amino]carbamothioyl]acetamide
CID 4922767
4-phenoxy-N-(piperidine-1-carbothioyl)butanamide
CID 19188329
N-[[[2-(2-chlorophenoxy)acetyl]amino]carbamothioyl]-2-(2-methoxyphenoxy)acetamide
CID 4506696

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-N-(piperidine-1-carbothioyl)acetamide?
The IUPAC name of 2-(2-chlorophenoxy)-N-(piperidine-1-carbothioyl)acetamide (CID 920664) is 2-(2-chlorophenoxy)-N-(piperidine-1-carbothioyl)acetamide.
What is the SMILES notation for 2-(2-chlorophenoxy)-N-(piperidine-1-carbothioyl)acetamide?
The canonical SMILES for 2-(2-chlorophenoxy)-N-(piperidine-1-carbothioyl)acetamide is O=C(COc1ccccc1Cl)NC(=S)N1CCCCC1.
What is the InChIKey of 2-(2-chlorophenoxy)-N-(piperidine-1-carbothioyl)acetamide?
The InChIKey is XSNIWCJITTWIEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O2S/c15-11-6-2-3-7-12(11)19-10-13(18)16-14(20)17-8-4-1-5-9-17/h2-3,6-7H,1,4-5,8-10H2,(H,16,18,20).
What are the key properties of 2-(2-chlorophenoxy)-N-(piperidine-1-carbothioyl)acetamide?
2-(2-chlorophenoxy)-N-(piperidine-1-carbothioyl)acetamide has a molecular weight of 312.82 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-N-(piperidine-1-carbothioyl)acetamide is sourced from PubChem (CID 920664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).