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

C15H13F2NOS — CID 47114263

IUPAC2-(3,4-difluorophenyl)sulfanyl-N-phenylpropanamide
SMILESCC(Sc1ccc(F)c(F)c1)C(=O)Nc1ccccc1
InChIInChI=1S/C15H13F2NOS/c1-10(15(19)18-11-5-3-2-4-6-11)20-12-7-8-13(16)14(17)9-12/h2-10H,1H3,(H,18,19)
InChIKeyZRHIXPCXMWZKCK-UHFFFAOYSA-N
MW293.34 g/mol
LogP4.08
Rot. Bonds4

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

2-(3,4-difluorophenyl)sulfanyl-N-phenylpropanamide (PubChem CID 47114263) has the molecular formula C15H13F2NOS and a molecular weight of 293.34 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)sulfanyl-N-phenylpropanamide.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)sulfanyl-N-phenylpropanamide
PubChem CID47114263
Molecular FormulaC15H13F2NOS
Molecular Weight293.34 g/mol
Exact Mass293.07
IUPAC Name2-(3,4-difluorophenyl)sulfanyl-N-phenylpropanamide
SMILESCC(Sc1ccc(F)c(F)c1)C(=O)Nc1ccccc1
InChIInChI=1S/C15H13F2NOS/c1-10(15(19)18-11-5-3-2-4-6-11)20-12-7-8-13(16)14(17)9-12/h2-10H,1H3,(H,18,19)
InChIKeyZRHIXPCXMWZKCK-UHFFFAOYSA-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

(2S)-N-(4-acetamidophenyl)-2-(3,4-difluorophenyl)sulfanylpropanamide
CID 9055622
N-(3,4-difluorophenyl)-2-(3,4-difluorophenyl)sulfanylpropanamide
CID 24500478
(2S)-N-(3,4-difluorophenyl)-2-phenylsulfanylpropanamide
CID 970786
(2R)-2-(3,4-difluorophenyl)sulfanyl-N-(4-sulfamoylphenyl)propanamide
CID 7737171
N-phenyl-2-phenylsulfanylpropanamide
CID 2889315
2-(3,4-difluorophenyl)sulfanyl-N-(2-phenylethyl)propanamide
CID 24500467
N-phenyl-2-[4-(phenylcarbamoylamino)phenyl]sulfanylpropanamide
CID 19712373
2-(3,4-difluorophenyl)sulfanyl-N-(4-fluoro-3-nitrophenyl)propanamide
CID 55387447
(2S)-2-(3,4-dimethoxyphenyl)sulfanyl-N-phenylpropanamide
CID 92674042
(2S)-2-(3,4-difluorophenyl)sulfanyl-N-(2,4,6-trimethylphenyl)propanamide
CID 7737187
(2R)-2-(3,4-difluorophenyl)sulfanyl-N-(2,4,6-trimethylphenyl)propanamide
CID 7737186
(2R)-N-(3-chloro-4-methoxyphenyl)-2-(3,4-difluorophenyl)sulfanylpropanamide
CID 9310323

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)sulfanyl-N-phenylpropanamide?
The IUPAC name of 2-(3,4-difluorophenyl)sulfanyl-N-phenylpropanamide (CID 47114263) is 2-(3,4-difluorophenyl)sulfanyl-N-phenylpropanamide.
What is the SMILES notation for 2-(3,4-difluorophenyl)sulfanyl-N-phenylpropanamide?
The canonical SMILES for 2-(3,4-difluorophenyl)sulfanyl-N-phenylpropanamide is CC(Sc1ccc(F)c(F)c1)C(=O)Nc1ccccc1.
What is the InChIKey of 2-(3,4-difluorophenyl)sulfanyl-N-phenylpropanamide?
The InChIKey is ZRHIXPCXMWZKCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2NOS/c1-10(15(19)18-11-5-3-2-4-6-11)20-12-7-8-13(16)14(17)9-12/h2-10H,1H3,(H,18,19).
What are the key properties of 2-(3,4-difluorophenyl)sulfanyl-N-phenylpropanamide?
2-(3,4-difluorophenyl)sulfanyl-N-phenylpropanamide 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 2-(3,4-difluorophenyl)sulfanyl-N-phenylpropanamide is sourced from PubChem (CID 47114263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).