3-(2,4-difluorophenyl)sulfanyl-N-phenylpropanamide

C15H13F2NOS — CID 47152940

IUPAC3-(2,4-difluorophenyl)sulfanyl-N-phenylpropanamide
SMILESO=C(CCSc1ccc(F)cc1F)Nc1ccccc1
InChIInChI=1S/C15H13F2NOS/c16-11-6-7-14(13(17)10-11)20-9-8-15(19)18-12-4-2-1-3-5-12/h1-7,10H,8-9H2,(H,18,19)
InChIKeyZLDCNPXRTKFKPB-UHFFFAOYSA-N
MW293.34 g/mol
LogP4.09
Rot. Bonds5

About 3-(2,4-difluorophenyl)sulfanyl-N-phenylpropanamide

3-(2,4-difluorophenyl)sulfanyl-N-phenylpropanamide (PubChem CID 47152940) has the molecular formula C15H13F2NOS and a molecular weight of 293.34 g/mol. Its IUPAC name is 3-(2,4-difluorophenyl)sulfanyl-N-phenylpropanamide.

Molecular Properties

Compound Name3-(2,4-difluorophenyl)sulfanyl-N-phenylpropanamide
PubChem CID47152940
Molecular FormulaC15H13F2NOS
Molecular Weight293.34 g/mol
Exact Mass293.07
IUPAC Name3-(2,4-difluorophenyl)sulfanyl-N-phenylpropanamide
SMILESO=C(CCSc1ccc(F)cc1F)Nc1ccccc1
InChIInChI=1S/C15H13F2NOS/c16-11-6-7-14(13(17)10-11)20-9-8-15(19)18-12-4-2-1-3-5-12/h1-7,10H,8-9H2,(H,18,19)
InChIKeyZLDCNPXRTKFKPB-UHFFFAOYSA-N
XLogP4.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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N-(4-acetylphenyl)-3-(2-fluorophenyl)sulfanylpropanamide
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N-(3-chloro-4-methoxyphenyl)-3-(2-fluorophenyl)sulfanylpropanamide
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N-(6-fluoro-1,3-benzothiazol-2-yl)-3-(2-fluorophenyl)sulfanylpropanamide
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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-difluorophenyl)sulfanyl-N-phenylpropanamide?
The IUPAC name of 3-(2,4-difluorophenyl)sulfanyl-N-phenylpropanamide (CID 47152940) is 3-(2,4-difluorophenyl)sulfanyl-N-phenylpropanamide.
What is the SMILES notation for 3-(2,4-difluorophenyl)sulfanyl-N-phenylpropanamide?
The canonical SMILES for 3-(2,4-difluorophenyl)sulfanyl-N-phenylpropanamide is O=C(CCSc1ccc(F)cc1F)Nc1ccccc1.
What is the InChIKey of 3-(2,4-difluorophenyl)sulfanyl-N-phenylpropanamide?
The InChIKey is ZLDCNPXRTKFKPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2NOS/c16-11-6-7-14(13(17)10-11)20-9-8-15(19)18-12-4-2-1-3-5-12/h1-7,10H,8-9H2,(H,18,19).
What are the key properties of 3-(2,4-difluorophenyl)sulfanyl-N-phenylpropanamide?
3-(2,4-difluorophenyl)sulfanyl-N-phenylpropanamide has a molecular weight of 293.34 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-difluorophenyl)sulfanyl-N-phenylpropanamide is sourced from PubChem (CID 47152940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).