N-[2-(2-fluorophenyl)sulfanylacetyl]-2-(2-oxopyrrolidin-1-yl)acetamide

C14H15FN2O3S — CID 2520472

IUPACN-[2-(2-fluorophenyl)sulfanylacetyl]-2-(2-oxopyrrolidin-1-yl)acetamide
SMILESO=C(CSc1ccccc1F)NC(=O)CN1CCCC1=O
InChIInChI=1S/C14H15FN2O3S/c15-10-4-1-2-5-11(10)21-9-13(19)16-12(18)8-17-7-3-6-14(17)20/h1-2,4-5H,3,6-9H2,(H,16,18,19)
InChIKeyXNYPZSVOERUVMZ-UHFFFAOYSA-N
MW310.35 g/mol
LogP1.18
Rot. Bonds5

About N-[2-(2-fluorophenyl)sulfanylacetyl]-2-(2-oxopyrrolidin-1-yl)acetamide

N-[2-(2-fluorophenyl)sulfanylacetyl]-2-(2-oxopyrrolidin-1-yl)acetamide (PubChem CID 2520472) has the molecular formula C14H15FN2O3S and a molecular weight of 310.35 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)sulfanylacetyl]-2-(2-oxopyrrolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)sulfanylacetyl]-2-(2-oxopyrrolidin-1-yl)acetamide
PubChem CID2520472
Molecular FormulaC14H15FN2O3S
Molecular Weight310.35 g/mol
Exact Mass310.08
IUPAC NameN-[2-(2-fluorophenyl)sulfanylacetyl]-2-(2-oxopyrrolidin-1-yl)acetamide
SMILESO=C(CSc1ccccc1F)NC(=O)CN1CCCC1=O
InChIInChI=1S/C14H15FN2O3S/c15-10-4-1-2-5-11(10)21-9-13(19)16-12(18)8-17-7-3-6-14(17)20/h1-2,4-5H,3,6-9H2,(H,16,18,19)
InChIKeyXNYPZSVOERUVMZ-UHFFFAOYSA-N
XLogP1.18
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)sulfanylacetyl]-2-(2-oxopyrrolidin-1-yl)acetamide?
The IUPAC name of N-[2-(2-fluorophenyl)sulfanylacetyl]-2-(2-oxopyrrolidin-1-yl)acetamide (CID 2520472) is N-[2-(2-fluorophenyl)sulfanylacetyl]-2-(2-oxopyrrolidin-1-yl)acetamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)sulfanylacetyl]-2-(2-oxopyrrolidin-1-yl)acetamide?
The canonical SMILES for N-[2-(2-fluorophenyl)sulfanylacetyl]-2-(2-oxopyrrolidin-1-yl)acetamide is O=C(CSc1ccccc1F)NC(=O)CN1CCCC1=O.
What is the InChIKey of N-[2-(2-fluorophenyl)sulfanylacetyl]-2-(2-oxopyrrolidin-1-yl)acetamide?
The InChIKey is XNYPZSVOERUVMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O3S/c15-10-4-1-2-5-11(10)21-9-13(19)16-12(18)8-17-7-3-6-14(17)20/h1-2,4-5H,3,6-9H2,(H,16,18,19).
What are the key properties of N-[2-(2-fluorophenyl)sulfanylacetyl]-2-(2-oxopyrrolidin-1-yl)acetamide?
N-[2-(2-fluorophenyl)sulfanylacetyl]-2-(2-oxopyrrolidin-1-yl)acetamide has a molecular weight of 310.35 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)sulfanylacetyl]-2-(2-oxopyrrolidin-1-yl)acetamide is sourced from PubChem (CID 2520472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).