(2S)-2-(2,4-difluorophenyl)sulfanyl-N-(3-fluorophenyl)propanamide

C15H12F3NOS — CID 8975115

IUPAC(2S)-2-(2,4-difluorophenyl)sulfanyl-N-(3-fluorophenyl)propanamide
SMILESC[C@H](Sc1ccc(F)cc1F)C(=O)Nc1cccc(F)c1
InChIInChI=1S/C15H12F3NOS/c1-9(21-14-6-5-11(17)8-13(14)18)15(20)19-12-4-2-3-10(16)7-12/h2-9H,1H3,(H,19,20)/t9-/m0/s1
InChIKeyXPXUMFLQFZWRTB-VIFPVBQESA-N
MW311.33 g/mol
LogP4.22
Rot. Bonds4

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

(2S)-2-(2,4-difluorophenyl)sulfanyl-N-(3-fluorophenyl)propanamide (PubChem CID 8975115) has the molecular formula C15H12F3NOS and a molecular weight of 311.33 g/mol. Its IUPAC name is (2S)-2-(2,4-difluorophenyl)sulfanyl-N-(3-fluorophenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(2,4-difluorophenyl)sulfanyl-N-(3-fluorophenyl)propanamide
PubChem CID8975115
Molecular FormulaC15H12F3NOS
Molecular Weight311.33 g/mol
Exact Mass311.06
IUPAC Name(2S)-2-(2,4-difluorophenyl)sulfanyl-N-(3-fluorophenyl)propanamide
SMILESC[C@H](Sc1ccc(F)cc1F)C(=O)Nc1cccc(F)c1
InChIInChI=1S/C15H12F3NOS/c1-9(21-14-6-5-11(17)8-13(14)18)15(20)19-12-4-2-3-10(16)7-12/h2-9H,1H3,(H,19,20)/t9-/m0/s1
InChIKeyXPXUMFLQFZWRTB-VIFPVBQESA-N
XLogP4.22
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.33
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-aminophenyl)-2-(2,4-difluorophenyl)sulfanylpropanamide
CID 43345469
(2S)-2-(2,4-difluorophenyl)sulfanyl-N-[3-(dimethylsulfamoyl)phenyl]propanamide
CID 9046565
4-[[(2R)-2-(2,4-difluorophenyl)sulfanylpropanoyl]amino]benzamide
CID 9046418
2-(2,4-difluorophenyl)sulfanyl-N-(9,10-dioxoanthracen-2-yl)propanamide
CID 60597843
N-(4-aminophenyl)-2-(2,4-difluorophenyl)sulfanylpropanamide
CID 43345467
(2R)-N-(2,4-difluorophenyl)-2-(2,4-difluorophenyl)sulfanylpropanamide
CID 8975147
N-(2,3-dichlorophenyl)-2-(2,4-difluorophenyl)sulfanylpropanamide
CID 55387332
(2R)-2-(2,4-difluorophenyl)sulfanyl-N-(2-methoxyphenyl)propanamide
CID 9046467
(2S)-2-(3,4-dimethylphenyl)sulfanyl-N-(3-fluorophenyl)propanamide
CID 8736843
(2S)-2-(2-fluorophenyl)sulfanyl-N-(3-methoxyphenyl)propanamide
CID 9034173
N-[4-[(2R)-2-(2,4-difluorophenyl)sulfanylpropanoyl]phenyl]acetamide
CID 8837256
(2S)-N-(3-fluorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
CID 8890282

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,4-difluorophenyl)sulfanyl-N-(3-fluorophenyl)propanamide?
The IUPAC name of (2S)-2-(2,4-difluorophenyl)sulfanyl-N-(3-fluorophenyl)propanamide (CID 8975115) is (2S)-2-(2,4-difluorophenyl)sulfanyl-N-(3-fluorophenyl)propanamide.
What is the SMILES notation for (2S)-2-(2,4-difluorophenyl)sulfanyl-N-(3-fluorophenyl)propanamide?
The canonical SMILES for (2S)-2-(2,4-difluorophenyl)sulfanyl-N-(3-fluorophenyl)propanamide is C[C@H](Sc1ccc(F)cc1F)C(=O)Nc1cccc(F)c1.
What is the InChIKey of (2S)-2-(2,4-difluorophenyl)sulfanyl-N-(3-fluorophenyl)propanamide?
The InChIKey is XPXUMFLQFZWRTB-VIFPVBQESA-N. The full InChI is InChI=1S/C15H12F3NOS/c1-9(21-14-6-5-11(17)8-13(14)18)15(20)19-12-4-2-3-10(16)7-12/h2-9H,1H3,(H,19,20)/t9-/m0/s1.
What are the key properties of (2S)-2-(2,4-difluorophenyl)sulfanyl-N-(3-fluorophenyl)propanamide?
(2S)-2-(2,4-difluorophenyl)sulfanyl-N-(3-fluorophenyl)propanamide has a molecular weight of 311.33 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,4-difluorophenyl)sulfanyl-N-(3-fluorophenyl)propanamide is sourced from PubChem (CID 8975115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).