(2S)-2-(2,4-difluorophenyl)sulfanylpropanamide

C9H9F2NOS — CID 9046479

IUPAC(2S)-2-(2,4-difluorophenyl)sulfanylpropanamide
SMILESC[C@H](Sc1ccc(F)cc1F)C(N)=O
InChIInChI=1S/C9H9F2NOS/c1-5(9(12)13)14-8-3-2-6(10)4-7(8)11/h2-5H,1H3,(H2,12,13)/t5-/m0/s1
InChIKeyXDPCGAUENMTLEV-YFKPBYRVSA-N
MW217.24 g/mol
LogP1.93
Rot. Bonds3

About (2S)-2-(2,4-difluorophenyl)sulfanylpropanamide

(2S)-2-(2,4-difluorophenyl)sulfanylpropanamide (PubChem CID 9046479) has the molecular formula C9H9F2NOS and a molecular weight of 217.24 g/mol. Its IUPAC name is (2S)-2-(2,4-difluorophenyl)sulfanylpropanamide.

Molecular Properties

Compound Name(2S)-2-(2,4-difluorophenyl)sulfanylpropanamide
PubChem CID9046479
Molecular FormulaC9H9F2NOS
Molecular Weight217.24 g/mol
Exact Mass217.04
IUPAC Name(2S)-2-(2,4-difluorophenyl)sulfanylpropanamide
SMILESC[C@H](Sc1ccc(F)cc1F)C(N)=O
InChIInChI=1S/C9H9F2NOS/c1-5(9(12)13)14-8-3-2-6(10)4-7(8)11/h2-5H,1H3,(H2,12,13)/t5-/m0/s1
InChIKeyXDPCGAUENMTLEV-YFKPBYRVSA-N
XLogP1.93
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.24
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-amino-2-fluorophenyl)sulfanylpropanamide
CID 43303751
2-(2,4-difluorophenyl)sulfanylbutanamide
CID 62899928
1-(4-chlorophenyl)-2-(2,4-difluorophenyl)sulfanylpropan-1-one
CID 43224788
(2R)-N-(2,4-difluorophenyl)-2-(2,4-difluorophenyl)sulfanylpropanamide
CID 8975147
4-[[(2R)-2-(2,4-difluorophenyl)sulfanylpropanoyl]amino]benzamide
CID 9046418
N-carbamoyl-2-(2,4-difluorophenyl)sulfanyl-3-methylbutanamide
CID 47115223
N-(4-aminophenyl)-2-(2,4-difluorophenyl)sulfanylpropanamide
CID 43345467
(2S)-2-(2,4-difluorophenyl)sulfanyl-N-(3-fluorophenyl)propanamide
CID 8975115
N-[4-[(2R)-2-(2,4-difluorophenyl)sulfanylpropanoyl]phenyl]acetamide
CID 8837256
N-(3-aminophenyl)-2-(2,4-difluorophenyl)sulfanylpropanamide
CID 43345469
2-(2,5-difluorophenyl)sulfanylpropanoic acid
CID 16772336
(2R)-2-(2,4-difluorophenyl)sulfanyl-N-(2-methoxyphenyl)propanamide
CID 9046467

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,4-difluorophenyl)sulfanylpropanamide?
The IUPAC name of (2S)-2-(2,4-difluorophenyl)sulfanylpropanamide (CID 9046479) is (2S)-2-(2,4-difluorophenyl)sulfanylpropanamide.
What is the SMILES notation for (2S)-2-(2,4-difluorophenyl)sulfanylpropanamide?
The canonical SMILES for (2S)-2-(2,4-difluorophenyl)sulfanylpropanamide is C[C@H](Sc1ccc(F)cc1F)C(N)=O.
What is the InChIKey of (2S)-2-(2,4-difluorophenyl)sulfanylpropanamide?
The InChIKey is XDPCGAUENMTLEV-YFKPBYRVSA-N. The full InChI is InChI=1S/C9H9F2NOS/c1-5(9(12)13)14-8-3-2-6(10)4-7(8)11/h2-5H,1H3,(H2,12,13)/t5-/m0/s1.
What are the key properties of (2S)-2-(2,4-difluorophenyl)sulfanylpropanamide?
(2S)-2-(2,4-difluorophenyl)sulfanylpropanamide has a molecular weight of 217.24 g/mol, XLogP of 1.93, 3 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)sulfanylpropanamide is sourced from PubChem (CID 9046479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).