2-(3,4-difluorophenyl)sulfanyl-N-(2-phenylethyl)propanamide

C17H17F2NOS — CID 24500467

IUPAC2-(3,4-difluorophenyl)sulfanyl-N-(2-phenylethyl)propanamide
SMILESCC(Sc1ccc(F)c(F)c1)C(=O)NCCc1ccccc1
InChIInChI=1S/C17H17F2NOS/c1-12(22-14-7-8-15(18)16(19)11-14)17(21)20-10-9-13-5-3-2-4-6-13/h2-8,11-12H,9-10H2,1H3,(H,20,21)
InChIKeyBESWVFIILQFMBN-UHFFFAOYSA-N
MW321.39 g/mol
LogP3.80
Rot. Bonds6

About 2-(3,4-difluorophenyl)sulfanyl-N-(2-phenylethyl)propanamide

2-(3,4-difluorophenyl)sulfanyl-N-(2-phenylethyl)propanamide (PubChem CID 24500467) has the molecular formula C17H17F2NOS and a molecular weight of 321.39 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)sulfanyl-N-(2-phenylethyl)propanamide.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)sulfanyl-N-(2-phenylethyl)propanamide
PubChem CID24500467
Molecular FormulaC17H17F2NOS
Molecular Weight321.39 g/mol
Exact Mass321.10
IUPAC Name2-(3,4-difluorophenyl)sulfanyl-N-(2-phenylethyl)propanamide
SMILESCC(Sc1ccc(F)c(F)c1)C(=O)NCCc1ccccc1
InChIInChI=1S/C17H17F2NOS/c1-12(22-14-7-8-15(18)16(19)11-14)17(21)20-10-9-13-5-3-2-4-6-13/h2-8,11-12H,9-10H2,1H3,(H,20,21)
InChIKeyBESWVFIILQFMBN-UHFFFAOYSA-N
XLogP3.80
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.39
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-fluorophenyl)sulfanyl-N-(2-phenylethyl)propanamide
CID 51235350
(2S)-2-(4-fluorophenyl)sulfanyl-N-(2-phenylethyl)propanamide
CID 8740654
2-(3,4-difluorophenyl)sulfanyl-N-phenylpropanamide
CID 47114263
(2S)-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(2-phenylethyl)propanamide
CID 8996376
2-(3,4-difluorophenyl)sulfanyl-N-[2-(2,6-dimethylanilino)-2-oxoethyl]propanamide
CID 51203302
(2S)-2-(3,4-difluorophenyl)sulfanyl-N-[2-(2,6-dimethylanilino)-2-oxoethyl]propanamide
CID 9055693
N-(3,4-difluorophenyl)-2-(3,4-difluorophenyl)sulfanylpropanamide
CID 24500478
(2R)-N-benzyl-2-naphthalen-2-ylsulfanylpropanamide
CID 7793117
(2R)-2-benzylsulfanyl-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 51929540
(2R)-2-(4-chlorophenyl)sulfanyl-N-[3-(4-fluorophenyl)propyl]propanamide
CID 99999476
N-[2-(1-benzylimidazol-2-yl)ethyl]-2-(4-chlorophenyl)sulfanylpropanamide
CID 134027611
(2S)-N-(3,4-difluorophenyl)-2-phenylsulfanylpropanamide
CID 970786

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)sulfanyl-N-(2-phenylethyl)propanamide?
The IUPAC name of 2-(3,4-difluorophenyl)sulfanyl-N-(2-phenylethyl)propanamide (CID 24500467) is 2-(3,4-difluorophenyl)sulfanyl-N-(2-phenylethyl)propanamide.
What is the SMILES notation for 2-(3,4-difluorophenyl)sulfanyl-N-(2-phenylethyl)propanamide?
The canonical SMILES for 2-(3,4-difluorophenyl)sulfanyl-N-(2-phenylethyl)propanamide is CC(Sc1ccc(F)c(F)c1)C(=O)NCCc1ccccc1.
What is the InChIKey of 2-(3,4-difluorophenyl)sulfanyl-N-(2-phenylethyl)propanamide?
The InChIKey is BESWVFIILQFMBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2NOS/c1-12(22-14-7-8-15(18)16(19)11-14)17(21)20-10-9-13-5-3-2-4-6-13/h2-8,11-12H,9-10H2,1H3,(H,20,21).
What are the key properties of 2-(3,4-difluorophenyl)sulfanyl-N-(2-phenylethyl)propanamide?
2-(3,4-difluorophenyl)sulfanyl-N-(2-phenylethyl)propanamide has a molecular weight of 321.39 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)sulfanyl-N-(2-phenylethyl)propanamide is sourced from PubChem (CID 24500467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).