N-(2-chlorophenyl)-2-[4-(2-methoxyethylcarbamothioyl)piperazin-1-yl]acetamide

C16H23ClN4O2S — CID 9214697

IUPACN-(2-chlorophenyl)-2-[4-(2-methoxyethylcarbamothioyl)piperazin-1-yl]acetamide
SMILESCOCCNC(=S)N1CCN(CC(=O)Nc2ccccc2Cl)CC1
InChIInChI=1S/C16H23ClN4O2S/c1-23-11-6-18-16(24)21-9-7-20(8-10-21)12-15(22)19-14-5-3-2-4-13(14)17/h2-5H,6-12H2,1H3,(H,18,24)(H,19,22)
InChIKeyHYIWDZUAMSLRHR-UHFFFAOYSA-N
MW370.91 g/mol
LogP1.42
Rot. Bonds6

About N-(2-chlorophenyl)-2-[4-(2-methoxyethylcarbamothioyl)piperazin-1-yl]acetamide

N-(2-chlorophenyl)-2-[4-(2-methoxyethylcarbamothioyl)piperazin-1-yl]acetamide (PubChem CID 9214697) has the molecular formula C16H23ClN4O2S and a molecular weight of 370.91 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-[4-(2-methoxyethylcarbamothioyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-[4-(2-methoxyethylcarbamothioyl)piperazin-1-yl]acetamide
PubChem CID9214697
Molecular FormulaC16H23ClN4O2S
Molecular Weight370.91 g/mol
Exact Mass370.12
IUPAC NameN-(2-chlorophenyl)-2-[4-(2-methoxyethylcarbamothioyl)piperazin-1-yl]acetamide
SMILESCOCCNC(=S)N1CCN(CC(=O)Nc2ccccc2Cl)CC1
InChIInChI=1S/C16H23ClN4O2S/c1-23-11-6-18-16(24)21-9-7-20(8-10-21)12-15(22)19-14-5-3-2-4-13(14)17/h2-5H,6-12H2,1H3,(H,18,24)(H,19,22)
InChIKeyHYIWDZUAMSLRHR-UHFFFAOYSA-N
XLogP1.42
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.91
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chlorophenyl)-2-[4-(2-methoxyethyl)piperazin-1-yl]acetamide
CID 34708396
2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-methylphenyl)acetamide
CID 29161450
4-(2-chlorophenyl)-N-(2-methoxyethyl)piperazine-1-carbothioamide
CID 8626829
N-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)acetamide
CID 22197633
N-(2-chlorophenyl)-2-[4-[[(1R,2R)-2-methylcyclohexyl]carbamothioyl]piperazin-1-yl]acetamide
CID 9214799
methyl 3-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]propanoate
CID 31955891
2-(azepan-1-yl)-N-(2-chlorophenyl)acetamide
CID 2070988
N-(2-chlorophenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride
CID 24832355
N-[3-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-3-oxopropyl]benzamide
CID 25490702
2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-pentylacetamide
CID 8800252
2-[4-[2-(2-ethoxyanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-methoxyethyl)acetamide
CID 24507184
2-[4-[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide
CID 9434323

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-[4-(2-methoxyethylcarbamothioyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(2-chlorophenyl)-2-[4-(2-methoxyethylcarbamothioyl)piperazin-1-yl]acetamide (CID 9214697) is N-(2-chlorophenyl)-2-[4-(2-methoxyethylcarbamothioyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-[4-(2-methoxyethylcarbamothioyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-[4-(2-methoxyethylcarbamothioyl)piperazin-1-yl]acetamide is COCCNC(=S)N1CCN(CC(=O)Nc2ccccc2Cl)CC1.
What is the InChIKey of N-(2-chlorophenyl)-2-[4-(2-methoxyethylcarbamothioyl)piperazin-1-yl]acetamide?
The InChIKey is HYIWDZUAMSLRHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN4O2S/c1-23-11-6-18-16(24)21-9-7-20(8-10-21)12-15(22)19-14-5-3-2-4-13(14)17/h2-5H,6-12H2,1H3,(H,18,24)(H,19,22).
What are the key properties of N-(2-chlorophenyl)-2-[4-(2-methoxyethylcarbamothioyl)piperazin-1-yl]acetamide?
N-(2-chlorophenyl)-2-[4-(2-methoxyethylcarbamothioyl)piperazin-1-yl]acetamide has a molecular weight of 370.91 g/mol, XLogP of 1.42, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-[4-(2-methoxyethylcarbamothioyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 9214697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).