2-(2-chlorophenoxy)-N-(4-methylpiperidine-1-carbothioyl)acetamide

C15H19ClN2O2S — CID 920715

IUPAC2-(2-chlorophenoxy)-N-(4-methylpiperidine-1-carbothioyl)acetamide
SMILESCC1CCN(C(=S)NC(=O)COc2ccccc2Cl)CC1
InChIInChI=1S/C15H19ClN2O2S/c1-11-6-8-18(9-7-11)15(21)17-14(19)10-20-13-5-3-2-4-12(13)16/h2-5,11H,6-10H2,1H3,(H,17,19,21)
InChIKeyTWZIUSNBTBKFJX-UHFFFAOYSA-N
MW326.85 g/mol
LogP2.85
Rot. Bonds3

About 2-(2-chlorophenoxy)-N-(4-methylpiperidine-1-carbothioyl)acetamide

2-(2-chlorophenoxy)-N-(4-methylpiperidine-1-carbothioyl)acetamide (PubChem CID 920715) has the molecular formula C15H19ClN2O2S and a molecular weight of 326.85 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-N-(4-methylpiperidine-1-carbothioyl)acetamide.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-N-(4-methylpiperidine-1-carbothioyl)acetamide
PubChem CID920715
Molecular FormulaC15H19ClN2O2S
Molecular Weight326.85 g/mol
Exact Mass326.09
IUPAC Name2-(2-chlorophenoxy)-N-(4-methylpiperidine-1-carbothioyl)acetamide
SMILESCC1CCN(C(=S)NC(=O)COc2ccccc2Cl)CC1
InChIInChI=1S/C15H19ClN2O2S/c1-11-6-8-18(9-7-11)15(21)17-14(19)10-20-13-5-3-2-4-12(13)16/h2-5,11H,6-10H2,1H3,(H,17,19,21)
InChIKeyTWZIUSNBTBKFJX-UHFFFAOYSA-N
XLogP2.85
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.85
LogP ≤ 52.85
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

N-(azepane-1-carbothioyl)-2-(2-chlorophenoxy)acetamide
CID 920702
2-(2-chlorophenoxy)-N-(piperidine-1-carbothioyl)acetamide
CID 920664
4-(4-chlorophenoxy)-N-(4-methylpiperidine-1-carbothioyl)butanamide
CID 19188795
2-butoxy-N-(4-methylpiperidine-1-carbothioyl)benzamide
CID 4941482
N-(4-methylpiperidine-1-carbothioyl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 19188067
N-[[[2-(2-chlorophenoxy)acetyl]amino]carbamothioyl]acetamide
CID 4922767
N-[[[2-(2-chlorophenoxy)acetyl]amino]carbamothioyl]-2-(2-methoxyphenoxy)acetamide
CID 4506696
N-(2-adamantylcarbamothioyl)-2-(2-chlorophenoxy)acetamide
CID 3365330
4-[[2-(2-chlorophenoxy)acetyl]amino]-N-phenylpiperidine-1-carboxamide
CID 46700417
2-[2-bromo-6-methoxy-4-(4-methylpiperidine-1-carbothioyl)phenoxy]-N-(2-chlorophenyl)acetamide
CID 126269613
2-(2-chlorophenoxy)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 134026861
2-(2-chlorophenoxy)-N-hydroxyacetamide
CID 95562486

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-N-(4-methylpiperidine-1-carbothioyl)acetamide?
The IUPAC name of 2-(2-chlorophenoxy)-N-(4-methylpiperidine-1-carbothioyl)acetamide (CID 920715) is 2-(2-chlorophenoxy)-N-(4-methylpiperidine-1-carbothioyl)acetamide.
What is the SMILES notation for 2-(2-chlorophenoxy)-N-(4-methylpiperidine-1-carbothioyl)acetamide?
The canonical SMILES for 2-(2-chlorophenoxy)-N-(4-methylpiperidine-1-carbothioyl)acetamide is CC1CCN(C(=S)NC(=O)COc2ccccc2Cl)CC1.
What is the InChIKey of 2-(2-chlorophenoxy)-N-(4-methylpiperidine-1-carbothioyl)acetamide?
The InChIKey is TWZIUSNBTBKFJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O2S/c1-11-6-8-18(9-7-11)15(21)17-14(19)10-20-13-5-3-2-4-12(13)16/h2-5,11H,6-10H2,1H3,(H,17,19,21).
What are the key properties of 2-(2-chlorophenoxy)-N-(4-methylpiperidine-1-carbothioyl)acetamide?
2-(2-chlorophenoxy)-N-(4-methylpiperidine-1-carbothioyl)acetamide has a molecular weight of 326.85 g/mol, XLogP of 2.85, 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-(4-methylpiperidine-1-carbothioyl)acetamide is sourced from PubChem (CID 920715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).