N-(1-cyclopropyl-2-oxopyrrolidin-3-yl)-2-[(4-methylphenyl)methylsulfanyl]acetamide

C17H22N2O2S — CID 102560759

IUPACN-(1-cyclopropyl-2-oxopyrrolidin-3-yl)-2-[(4-methylphenyl)methylsulfanyl]acetamide
SMILESCc1ccc(CSCC(=O)NC2CCN(C3CC3)C2=O)cc1
InChIInChI=1S/C17H22N2O2S/c1-12-2-4-13(5-3-12)10-22-11-16(20)18-15-8-9-19(17(15)21)14-6-7-14/h2-5,14-15H,6-11H2,1H3,(H,18,20)
InChIKeyLKCCNSRXVWZDCV-UHFFFAOYSA-N
MW318.44 g/mol
LogP2.11
Rot. Bonds6

About N-(1-cyclopropyl-2-oxopyrrolidin-3-yl)-2-[(4-methylphenyl)methylsulfanyl]acetamide

N-(1-cyclopropyl-2-oxopyrrolidin-3-yl)-2-[(4-methylphenyl)methylsulfanyl]acetamide (PubChem CID 102560759) has the molecular formula C17H22N2O2S and a molecular weight of 318.44 g/mol. Its IUPAC name is N-(1-cyclopropyl-2-oxopyrrolidin-3-yl)-2-[(4-methylphenyl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-(1-cyclopropyl-2-oxopyrrolidin-3-yl)-2-[(4-methylphenyl)methylsulfanyl]acetamide
PubChem CID102560759
Molecular FormulaC17H22N2O2S
Molecular Weight318.44 g/mol
Exact Mass318.14
IUPAC NameN-(1-cyclopropyl-2-oxopyrrolidin-3-yl)-2-[(4-methylphenyl)methylsulfanyl]acetamide
SMILESCc1ccc(CSCC(=O)NC2CCN(C3CC3)C2=O)cc1
InChIInChI=1S/C17H22N2O2S/c1-12-2-4-13(5-3-12)10-22-11-16(20)18-15-8-9-19(17(15)21)14-6-7-14/h2-5,14-15H,6-11H2,1H3,(H,18,20)
InChIKeyLKCCNSRXVWZDCV-UHFFFAOYSA-N
XLogP2.11
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(1-cyclopropyl-2-oxopyrrolidin-3-yl)-2-[(4-methylphenyl)methylsulfanyl]acetamide 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 N-(1-cyclopropyl-2-oxopyrrolidin-3-yl)-2-[(4-methylphenyl)methylsulfanyl]acetamide?
The IUPAC name of N-(1-cyclopropyl-2-oxopyrrolidin-3-yl)-2-[(4-methylphenyl)methylsulfanyl]acetamide (CID 102560759) is N-(1-cyclopropyl-2-oxopyrrolidin-3-yl)-2-[(4-methylphenyl)methylsulfanyl]acetamide.
What is the SMILES notation for N-(1-cyclopropyl-2-oxopyrrolidin-3-yl)-2-[(4-methylphenyl)methylsulfanyl]acetamide?
The canonical SMILES for N-(1-cyclopropyl-2-oxopyrrolidin-3-yl)-2-[(4-methylphenyl)methylsulfanyl]acetamide is Cc1ccc(CSCC(=O)NC2CCN(C3CC3)C2=O)cc1.
What is the InChIKey of N-(1-cyclopropyl-2-oxopyrrolidin-3-yl)-2-[(4-methylphenyl)methylsulfanyl]acetamide?
The InChIKey is LKCCNSRXVWZDCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2S/c1-12-2-4-13(5-3-12)10-22-11-16(20)18-15-8-9-19(17(15)21)14-6-7-14/h2-5,14-15H,6-11H2,1H3,(H,18,20).
What are the key properties of N-(1-cyclopropyl-2-oxopyrrolidin-3-yl)-2-[(4-methylphenyl)methylsulfanyl]acetamide?
N-(1-cyclopropyl-2-oxopyrrolidin-3-yl)-2-[(4-methylphenyl)methylsulfanyl]acetamide has a molecular weight of 318.44 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropyl-2-oxopyrrolidin-3-yl)-2-[(4-methylphenyl)methylsulfanyl]acetamide is sourced from PubChem (CID 102560759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).