4-methylsulfanyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide

C15H20N2O2S — CID 18157100

IUPAC4-methylsulfanyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide
SMILESCSc1ccc(C(=O)NCCC(=O)N2CCCC2)cc1
InChIInChI=1S/C15H20N2O2S/c1-20-13-6-4-12(5-7-13)15(19)16-9-8-14(18)17-10-2-3-11-17/h4-7H,2-3,8-11H2,1H3,(H,16,19)
InChIKeyPHUFCLJJMTYCRJ-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.15
Rot. Bonds5

About 4-methylsulfanyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide

4-methylsulfanyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide (PubChem CID 18157100) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is 4-methylsulfanyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide.

Molecular Properties

Compound Name4-methylsulfanyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide
PubChem CID18157100
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC Name4-methylsulfanyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide
SMILESCSc1ccc(C(=O)NCCC(=O)N2CCCC2)cc1
InChIInChI=1S/C15H20N2O2S/c1-20-13-6-4-12(5-7-13)15(19)16-9-8-14(18)17-10-2-3-11-17/h4-7H,2-3,8-11H2,1H3,(H,16,19)
InChIKeyPHUFCLJJMTYCRJ-UHFFFAOYSA-N
XLogP2.15
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-(3-oxo-3-piperidin-1-ylpropyl)benzamide
CID 47250876
2-chloro-5-methylsulfanyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide
CID 46598347
N-(3-oxo-3-pyrrolidin-1-ylpropyl)-4-sulfanylbenzamide
CID 107034732
N-(3-oxo-3-piperidin-1-ylpropyl)benzamide
CID 17154515
4-benzoyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide
CID 18157014
4-chloro-N-[3-oxo-3-[(3-oxo-3-piperidin-1-ylpropyl)amino]propyl]benzamide
CID 55802990
4-nitro-N-(3-oxo-3-piperidin-1-ylpropyl)benzamide
CID 7964038
N-(3-oxo-3-pyrrolidin-1-ylpropyl)-4-pyrazol-1-ylbenzamide
CID 18157119
4-bromo-3-fluoro-N-(3-oxo-3-piperidin-1-ylpropyl)benzamide
CID 115595590
4-[(4-methylphenyl)sulfamoyl]-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide
CID 55364351
4-tert-butyl-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]benzamide
CID 7964230
4-fluoro-N-(3-morpholin-4-yl-3-oxopropyl)benzamide
CID 46577163

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide?
The IUPAC name of 4-methylsulfanyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide (CID 18157100) is 4-methylsulfanyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide.
What is the SMILES notation for 4-methylsulfanyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide?
The canonical SMILES for 4-methylsulfanyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide is CSc1ccc(C(=O)NCCC(=O)N2CCCC2)cc1.
What is the InChIKey of 4-methylsulfanyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide?
The InChIKey is PHUFCLJJMTYCRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-20-13-6-4-12(5-7-13)15(19)16-9-8-14(18)17-10-2-3-11-17/h4-7H,2-3,8-11H2,1H3,(H,16,19).
What are the key properties of 4-methylsulfanyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide?
4-methylsulfanyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide has a molecular weight of 292.40 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide is sourced from PubChem (CID 18157100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).