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

C15H18F2N2O2S — CID 8770996

IUPAC2-(2,4-difluorophenyl)sulfanyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
SMILESO=C(CSc1ccc(F)cc1F)NCCCN1CCCC1=O
InChIInChI=1S/C15H18F2N2O2S/c16-11-4-5-13(12(17)9-11)22-10-14(20)18-6-2-8-19-7-1-3-15(19)21/h4-5,9H,1-3,6-8,10H2,(H,18,20)
InChIKeyDEKNUCGDYJLALS-UHFFFAOYSA-N
MW328.38 g/mol
LogP2.19
Rot. Bonds7

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

2-(2,4-difluorophenyl)sulfanyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide (PubChem CID 8770996) has the molecular formula C15H18F2N2O2S and a molecular weight of 328.38 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)sulfanyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)sulfanyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
PubChem CID8770996
Molecular FormulaC15H18F2N2O2S
Molecular Weight328.38 g/mol
Exact Mass328.11
IUPAC Name2-(2,4-difluorophenyl)sulfanyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
SMILESO=C(CSc1ccc(F)cc1F)NCCCN1CCCC1=O
InChIInChI=1S/C15H18F2N2O2S/c16-11-4-5-13(12(17)9-11)22-10-14(20)18-6-2-8-19-7-1-3-15(19)21/h4-5,9H,1-3,6-8,10H2,(H,18,20)
InChIKeyDEKNUCGDYJLALS-UHFFFAOYSA-N
XLogP2.19
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 52.19
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-difluorophenyl)sulfanyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide?
The IUPAC name of 2-(2,4-difluorophenyl)sulfanyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide (CID 8770996) is 2-(2,4-difluorophenyl)sulfanyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide.
What is the SMILES notation for 2-(2,4-difluorophenyl)sulfanyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide?
The canonical SMILES for 2-(2,4-difluorophenyl)sulfanyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide is O=C(CSc1ccc(F)cc1F)NCCCN1CCCC1=O.
What is the InChIKey of 2-(2,4-difluorophenyl)sulfanyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide?
The InChIKey is DEKNUCGDYJLALS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N2O2S/c16-11-4-5-13(12(17)9-11)22-10-14(20)18-6-2-8-19-7-1-3-15(19)21/h4-5,9H,1-3,6-8,10H2,(H,18,20).
What are the key properties of 2-(2,4-difluorophenyl)sulfanyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide?
2-(2,4-difluorophenyl)sulfanyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide has a molecular weight of 328.38 g/mol, XLogP of 2.19, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)sulfanyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide is sourced from PubChem (CID 8770996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).