2-[1-[(2,3-difluorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-methylsulfonylacetamide

C14H16F2N2O4S — CID 166541743

IUPAC2-[1-[(2,3-difluorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-methylsulfonylacetamide
SMILESCS(=O)(=O)NC(=O)CC1CCC(=O)N1Cc1cccc(F)c1F
InChIInChI=1S/C14H16F2N2O4S/c1-23(21,22)17-12(19)7-10-5-6-13(20)18(10)8-9-3-2-4-11(15)14(9)16/h2-4,10H,5-8H2,1H3,(H,17,19)
InChIKeyHEEAVRYACWXGAF-UHFFFAOYSA-N
MW346.36 g/mol
LogP0.92
Rot. Bonds5

About 2-[1-[(2,3-difluorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-methylsulfonylacetamide

2-[1-[(2,3-difluorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-methylsulfonylacetamide (PubChem CID 166541743) has the molecular formula C14H16F2N2O4S and a molecular weight of 346.36 g/mol. Its IUPAC name is 2-[1-[(2,3-difluorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-methylsulfonylacetamide.

Molecular Properties

Compound Name2-[1-[(2,3-difluorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-methylsulfonylacetamide
PubChem CID166541743
Molecular FormulaC14H16F2N2O4S
Molecular Weight346.36 g/mol
Exact Mass346.08
IUPAC Name2-[1-[(2,3-difluorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-methylsulfonylacetamide
SMILESCS(=O)(=O)NC(=O)CC1CCC(=O)N1Cc1cccc(F)c1F
InChIInChI=1S/C14H16F2N2O4S/c1-23(21,22)17-12(19)7-10-5-6-13(20)18(10)8-9-3-2-4-11(15)14(9)16/h2-4,10H,5-8H2,1H3,(H,17,19)
InChIKeyHEEAVRYACWXGAF-UHFFFAOYSA-N
XLogP0.92
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.36
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2,3-difluorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-methylsulfonylacetamide?
The IUPAC name of 2-[1-[(2,3-difluorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-methylsulfonylacetamide (CID 166541743) is 2-[1-[(2,3-difluorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-methylsulfonylacetamide.
What is the SMILES notation for 2-[1-[(2,3-difluorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-methylsulfonylacetamide?
The canonical SMILES for 2-[1-[(2,3-difluorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-methylsulfonylacetamide is CS(=O)(=O)NC(=O)CC1CCC(=O)N1Cc1cccc(F)c1F.
What is the InChIKey of 2-[1-[(2,3-difluorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-methylsulfonylacetamide?
The InChIKey is HEEAVRYACWXGAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N2O4S/c1-23(21,22)17-12(19)7-10-5-6-13(20)18(10)8-9-3-2-4-11(15)14(9)16/h2-4,10H,5-8H2,1H3,(H,17,19).
What are the key properties of 2-[1-[(2,3-difluorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-methylsulfonylacetamide?
2-[1-[(2,3-difluorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-methylsulfonylacetamide has a molecular weight of 346.36 g/mol, XLogP of 0.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2,3-difluorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-methylsulfonylacetamide is sourced from PubChem (CID 166541743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).