(2S)-N-(3,4-difluorophenyl)-2-phenylsulfanylpropanamide

C15H13F2NOS — CID 970786

IUPAC(2S)-N-(3,4-difluorophenyl)-2-phenylsulfanylpropanamide
SMILESC[C@H](Sc1ccccc1)C(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C15H13F2NOS/c1-10(20-12-5-3-2-4-6-12)15(19)18-11-7-8-13(16)14(17)9-11/h2-10H,1H3,(H,18,19)/t10-/m0/s1
InChIKeyXFANBBXSHYDBQI-JTQLQIEISA-N
MW293.34 g/mol
LogP4.08
Rot. Bonds4

About (2S)-N-(3,4-difluorophenyl)-2-phenylsulfanylpropanamide

(2S)-N-(3,4-difluorophenyl)-2-phenylsulfanylpropanamide (PubChem CID 970786) has the molecular formula C15H13F2NOS and a molecular weight of 293.34 g/mol. Its IUPAC name is (2S)-N-(3,4-difluorophenyl)-2-phenylsulfanylpropanamide.

Molecular Properties

Compound Name(2S)-N-(3,4-difluorophenyl)-2-phenylsulfanylpropanamide
PubChem CID970786
Molecular FormulaC15H13F2NOS
Molecular Weight293.34 g/mol
Exact Mass293.07
IUPAC Name(2S)-N-(3,4-difluorophenyl)-2-phenylsulfanylpropanamide
SMILESC[C@H](Sc1ccccc1)C(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C15H13F2NOS/c1-10(20-12-5-3-2-4-6-12)15(19)18-11-7-8-13(16)14(17)9-11/h2-10H,1H3,(H,18,19)/t10-/m0/s1
InChIKeyXFANBBXSHYDBQI-JTQLQIEISA-N
XLogP4.08
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,4-difluorophenyl)-2-(3,4-difluorophenyl)sulfanylpropanamide
CID 24500478
[(2S)-1-(3,4-difluoroanilino)-1-oxopropan-2-yl] (2R)-2-phenylsulfanylpropanoate
CID 8979766
2-(3,4-difluorophenyl)sulfanyl-N-phenylpropanamide
CID 47114263
(2R)-N-(3,4-difluorophenyl)-2-(4-methoxyphenyl)sulfanylpropanamide
CID 26373927
N-phenyl-2-phenylsulfanylpropanamide
CID 2889315
(2S)-N-(4-acetamidophenyl)-2-(3,4-difluorophenyl)sulfanylpropanamide
CID 9055622
N-(2-fluorophenyl)-2-phenylsulfanylpropanamide
CID 2959569
N-(4-aminophenyl)-2-phenylsulfanylpropanamide
CID 43187412
(2S)-N-(3-chloro-4-fluorophenyl)-2-(4-fluorophenyl)sulfanylpropanamide
CID 8740662
(2R)-N-(4-acetylphenyl)-2-phenylsulfanylpropanamide
CID 2501504
N-phenyl-2-[4-(phenylcarbamoylamino)phenyl]sulfanylpropanamide
CID 19712373
N-(4-acetamido-3-chlorophenyl)-2-phenylsulfanylpropanamide
CID 17460927

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3,4-difluorophenyl)-2-phenylsulfanylpropanamide?
The IUPAC name of (2S)-N-(3,4-difluorophenyl)-2-phenylsulfanylpropanamide (CID 970786) is (2S)-N-(3,4-difluorophenyl)-2-phenylsulfanylpropanamide.
What is the SMILES notation for (2S)-N-(3,4-difluorophenyl)-2-phenylsulfanylpropanamide?
The canonical SMILES for (2S)-N-(3,4-difluorophenyl)-2-phenylsulfanylpropanamide is C[C@H](Sc1ccccc1)C(=O)Nc1ccc(F)c(F)c1.
What is the InChIKey of (2S)-N-(3,4-difluorophenyl)-2-phenylsulfanylpropanamide?
The InChIKey is XFANBBXSHYDBQI-JTQLQIEISA-N. The full InChI is InChI=1S/C15H13F2NOS/c1-10(20-12-5-3-2-4-6-12)15(19)18-11-7-8-13(16)14(17)9-11/h2-10H,1H3,(H,18,19)/t10-/m0/s1.
What are the key properties of (2S)-N-(3,4-difluorophenyl)-2-phenylsulfanylpropanamide?
(2S)-N-(3,4-difluorophenyl)-2-phenylsulfanylpropanamide has a molecular weight of 293.34 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3,4-difluorophenyl)-2-phenylsulfanylpropanamide is sourced from PubChem (CID 970786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).