2-[1-[(4-methylphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-methylsulfonylacetamide

C15H20N2O4S — CID 166541670

IUPAC2-[1-[(4-methylphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-methylsulfonylacetamide
SMILESCc1ccc(CN2C(=O)CCC2CC(=O)NS(C)(=O)=O)cc1
InChIInChI=1S/C15H20N2O4S/c1-11-3-5-12(6-4-11)10-17-13(7-8-15(17)19)9-14(18)16-22(2,20)21/h3-6,13H,7-10H2,1-2H3,(H,16,18)
InChIKeyXOSGXGZJBQIAEK-UHFFFAOYSA-N
MW324.40 g/mol
LogP0.95
Rot. Bonds5

About 2-[1-[(4-methylphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-methylsulfonylacetamide

2-[1-[(4-methylphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-methylsulfonylacetamide (PubChem CID 166541670) has the molecular formula C15H20N2O4S and a molecular weight of 324.40 g/mol. Its IUPAC name is 2-[1-[(4-methylphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-methylsulfonylacetamide.

Molecular Properties

Compound Name2-[1-[(4-methylphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-methylsulfonylacetamide
PubChem CID166541670
Molecular FormulaC15H20N2O4S
Molecular Weight324.40 g/mol
Exact Mass324.11
IUPAC Name2-[1-[(4-methylphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-methylsulfonylacetamide
SMILESCc1ccc(CN2C(=O)CCC2CC(=O)NS(C)(=O)=O)cc1
InChIInChI=1S/C15H20N2O4S/c1-11-3-5-12(6-4-11)10-17-13(7-8-15(17)19)9-14(18)16-22(2,20)21/h3-6,13H,7-10H2,1-2H3,(H,16,18)
InChIKeyXOSGXGZJBQIAEK-UHFFFAOYSA-N
XLogP0.95
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-methylphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-methylsulfonylacetamide?
The IUPAC name of 2-[1-[(4-methylphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-methylsulfonylacetamide (CID 166541670) is 2-[1-[(4-methylphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-methylsulfonylacetamide.
What is the SMILES notation for 2-[1-[(4-methylphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-methylsulfonylacetamide?
The canonical SMILES for 2-[1-[(4-methylphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-methylsulfonylacetamide is Cc1ccc(CN2C(=O)CCC2CC(=O)NS(C)(=O)=O)cc1.
What is the InChIKey of 2-[1-[(4-methylphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-methylsulfonylacetamide?
The InChIKey is XOSGXGZJBQIAEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4S/c1-11-3-5-12(6-4-11)10-17-13(7-8-15(17)19)9-14(18)16-22(2,20)21/h3-6,13H,7-10H2,1-2H3,(H,16,18).
What are the key properties of 2-[1-[(4-methylphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-methylsulfonylacetamide?
2-[1-[(4-methylphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-methylsulfonylacetamide has a molecular weight of 324.40 g/mol, XLogP of 0.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-methylphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-methylsulfonylacetamide is sourced from PubChem (CID 166541670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).