2-chloro-N-(4-methylsulfanyl-1-oxo-1-piperidin-1-ylbutan-2-yl)benzamide

C17H23ClN2O2S — CID 25163051

IUPAC2-chloro-N-(4-methylsulfanyl-1-oxo-1-piperidin-1-ylbutan-2-yl)benzamide
SMILESCSCCC(NC(=O)c1ccccc1Cl)C(=O)N1CCCCC1
InChIInChI=1S/C17H23ClN2O2S/c1-23-12-9-15(17(22)20-10-5-2-6-11-20)19-16(21)13-7-3-4-8-14(13)18/h3-4,7-8,15H,2,5-6,9-12H2,1H3,(H,19,21)
InChIKeyRZVCFIWOSQVABW-UHFFFAOYSA-N
MW354.90 g/mol
LogP3.20
Rot. Bonds6

About 2-chloro-N-(4-methylsulfanyl-1-oxo-1-piperidin-1-ylbutan-2-yl)benzamide

2-chloro-N-(4-methylsulfanyl-1-oxo-1-piperidin-1-ylbutan-2-yl)benzamide (PubChem CID 25163051) has the molecular formula C17H23ClN2O2S and a molecular weight of 354.90 g/mol. Its IUPAC name is 2-chloro-N-(4-methylsulfanyl-1-oxo-1-piperidin-1-ylbutan-2-yl)benzamide.

Molecular Properties

Compound Name2-chloro-N-(4-methylsulfanyl-1-oxo-1-piperidin-1-ylbutan-2-yl)benzamide
PubChem CID25163051
Molecular FormulaC17H23ClN2O2S
Molecular Weight354.90 g/mol
Exact Mass354.12
IUPAC Name2-chloro-N-(4-methylsulfanyl-1-oxo-1-piperidin-1-ylbutan-2-yl)benzamide
SMILESCSCCC(NC(=O)c1ccccc1Cl)C(=O)N1CCCCC1
InChIInChI=1S/C17H23ClN2O2S/c1-23-12-9-15(17(22)20-10-5-2-6-11-20)19-16(21)13-7-3-4-8-14(13)18/h3-4,7-8,15H,2,5-6,9-12H2,1H3,(H,19,21)
InChIKeyRZVCFIWOSQVABW-UHFFFAOYSA-N
XLogP3.20
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.90
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-chloro-N-(4-methylsulfanyl-1-oxo-1-piperidin-1-ylbutan-2-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-methylsulfanyl-1-oxo-1-piperidin-1-ylbutan-2-yl)benzamide?
The IUPAC name of 2-chloro-N-(4-methylsulfanyl-1-oxo-1-piperidin-1-ylbutan-2-yl)benzamide (CID 25163051) is 2-chloro-N-(4-methylsulfanyl-1-oxo-1-piperidin-1-ylbutan-2-yl)benzamide.
What is the SMILES notation for 2-chloro-N-(4-methylsulfanyl-1-oxo-1-piperidin-1-ylbutan-2-yl)benzamide?
The canonical SMILES for 2-chloro-N-(4-methylsulfanyl-1-oxo-1-piperidin-1-ylbutan-2-yl)benzamide is CSCCC(NC(=O)c1ccccc1Cl)C(=O)N1CCCCC1.
What is the InChIKey of 2-chloro-N-(4-methylsulfanyl-1-oxo-1-piperidin-1-ylbutan-2-yl)benzamide?
The InChIKey is RZVCFIWOSQVABW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O2S/c1-23-12-9-15(17(22)20-10-5-2-6-11-20)19-16(21)13-7-3-4-8-14(13)18/h3-4,7-8,15H,2,5-6,9-12H2,1H3,(H,19,21).
What are the key properties of 2-chloro-N-(4-methylsulfanyl-1-oxo-1-piperidin-1-ylbutan-2-yl)benzamide?
2-chloro-N-(4-methylsulfanyl-1-oxo-1-piperidin-1-ylbutan-2-yl)benzamide has a molecular weight of 354.90 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-methylsulfanyl-1-oxo-1-piperidin-1-ylbutan-2-yl)benzamide is sourced from PubChem (CID 25163051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).