2-(2,4-dimethylphenyl)sulfanyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide

C17H24N2O2S — CID 2080639

IUPAC2-(2,4-dimethylphenyl)sulfanyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
SMILESCc1ccc(SCC(=O)NCCCN2CCCC2=O)c(C)c1
InChIInChI=1S/C17H24N2O2S/c1-13-6-7-15(14(2)11-13)22-12-16(20)18-8-4-10-19-9-3-5-17(19)21/h6-7,11H,3-5,8-10,12H2,1-2H3,(H,18,20)
InChIKeyUXLHHEOCYUPZCL-UHFFFAOYSA-N
MW320.46 g/mol
LogP2.52
Rot. Bonds7

About 2-(2,4-dimethylphenyl)sulfanyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide

2-(2,4-dimethylphenyl)sulfanyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide (PubChem CID 2080639) has the molecular formula C17H24N2O2S and a molecular weight of 320.46 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)sulfanyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)sulfanyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
PubChem CID2080639
Molecular FormulaC17H24N2O2S
Molecular Weight320.46 g/mol
Exact Mass320.16
IUPAC Name2-(2,4-dimethylphenyl)sulfanyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
SMILESCc1ccc(SCC(=O)NCCCN2CCCC2=O)c(C)c1
InChIInChI=1S/C17H24N2O2S/c1-13-6-7-15(14(2)11-13)22-12-16(20)18-8-4-10-19-9-3-5-17(19)21/h6-7,11H,3-5,8-10,12H2,1-2H3,(H,18,20)
InChIKeyUXLHHEOCYUPZCL-UHFFFAOYSA-N
XLogP2.52
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)sulfanyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide?
The IUPAC name of 2-(2,4-dimethylphenyl)sulfanyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide (CID 2080639) is 2-(2,4-dimethylphenyl)sulfanyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide.
What is the SMILES notation for 2-(2,4-dimethylphenyl)sulfanyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide?
The canonical SMILES for 2-(2,4-dimethylphenyl)sulfanyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide is Cc1ccc(SCC(=O)NCCCN2CCCC2=O)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenyl)sulfanyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide?
The InChIKey is UXLHHEOCYUPZCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2S/c1-13-6-7-15(14(2)11-13)22-12-16(20)18-8-4-10-19-9-3-5-17(19)21/h6-7,11H,3-5,8-10,12H2,1-2H3,(H,18,20).
What are the key properties of 2-(2,4-dimethylphenyl)sulfanyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide?
2-(2,4-dimethylphenyl)sulfanyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide has a molecular weight of 320.46 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)sulfanyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide is sourced from PubChem (CID 2080639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).