2-(3,4-difluorophenyl)sulfanyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide

C15H18F2N2O2S — CID 78810219

IUPAC2-(3,4-difluorophenyl)sulfanyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide
SMILESO=C(CSc1ccc(F)c(F)c1)NCCC(=O)N1CCCC1
InChIInChI=1S/C15H18F2N2O2S/c16-12-4-3-11(9-13(12)17)22-10-14(20)18-6-5-15(21)19-7-1-2-8-19/h3-4,9H,1-2,5-8,10H2,(H,18,20)
InChIKeyOFNJDUCVHNXLBB-UHFFFAOYSA-N
MW328.38 g/mol
LogP2.19
Rot. Bonds6

About 2-(3,4-difluorophenyl)sulfanyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide

2-(3,4-difluorophenyl)sulfanyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide (PubChem CID 78810219) has the molecular formula C15H18F2N2O2S and a molecular weight of 328.38 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)sulfanyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)sulfanyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide
PubChem CID78810219
Molecular FormulaC15H18F2N2O2S
Molecular Weight328.38 g/mol
Exact Mass328.11
IUPAC Name2-(3,4-difluorophenyl)sulfanyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide
SMILESO=C(CSc1ccc(F)c(F)c1)NCCC(=O)N1CCCC1
InChIInChI=1S/C15H18F2N2O2S/c16-12-4-3-11(9-13(12)17)22-10-14(20)18-6-5-15(21)19-7-1-2-8-19/h3-4,9H,1-2,5-8,10H2,(H,18,20)
InChIKeyOFNJDUCVHNXLBB-UHFFFAOYSA-N
XLogP2.19
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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

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Related Compounds

2-(3,4-difluorophenyl)sulfanyl-1-pyrrolidin-1-ylethanone
CID 51073254
N-(2-acetamidoethyl)-2-(3,4-difluorophenyl)sulfanylacetamide
CID 78811528
2-(3,4-difluorophenyl)sulfanyl-N-[3-(methylamino)propyl]acetamide
CID 119432812
2-(3,4-difluorophenyl)sulfanyl-N-(5-hydroxypentyl)acetamide
CID 107319095
ethyl 4-[[2-(3,4-difluorophenyl)sulfanylacetyl]amino]butanoate
CID 60665471
5-bromo-2-fluoro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide
CID 60651347
2-(3,4-difluorophenyl)sulfanyl-N-methylacetamide
CID 60665693
N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-2-phenylsulfanylacetamide
CID 56783474
1-[2-(3,4-difluorophenyl)sulfanylacetyl]piperidine-4-carboxylic acid
CID 35621845
2-[4-[2-(3,4-difluorophenyl)sulfanylacetyl]piperazin-1-yl]-N-methylacetamide
CID 8926504
2-(3,4-difluorophenyl)sulfanyl-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride
CID 119558141
N-(3,3-difluoro-2-hydroxypropyl)-2-(3,4-difluorophenyl)sulfanylacetamide
CID 103770230

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)sulfanyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide?
The IUPAC name of 2-(3,4-difluorophenyl)sulfanyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide (CID 78810219) is 2-(3,4-difluorophenyl)sulfanyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide.
What is the SMILES notation for 2-(3,4-difluorophenyl)sulfanyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide?
The canonical SMILES for 2-(3,4-difluorophenyl)sulfanyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide is O=C(CSc1ccc(F)c(F)c1)NCCC(=O)N1CCCC1.
What is the InChIKey of 2-(3,4-difluorophenyl)sulfanyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide?
The InChIKey is OFNJDUCVHNXLBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N2O2S/c16-12-4-3-11(9-13(12)17)22-10-14(20)18-6-5-15(21)19-7-1-2-8-19/h3-4,9H,1-2,5-8,10H2,(H,18,20).
What are the key properties of 2-(3,4-difluorophenyl)sulfanyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide?
2-(3,4-difluorophenyl)sulfanyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide has a molecular weight of 328.38 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)sulfanyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide is sourced from PubChem (CID 78810219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).