(2S)-2-(2,5-difluorophenyl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide

C15H17F2N3OS — CID 8972361

IUPAC(2S)-2-(2,5-difluorophenyl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1NC(=O)[C@H](C)Sc1cc(F)ccc1F
InChIInChI=1S/C15H17F2N3OS/c1-8-14(9(2)20(4)19-8)18-15(21)10(3)22-13-7-11(16)5-6-12(13)17/h5-7,10H,1-4H3,(H,18,21)/t10-/m0/s1
InChIKeyKFMSWPLJVYQQFL-JTQLQIEISA-N
MW325.38 g/mol
LogP3.43
Rot. Bonds4

About (2S)-2-(2,5-difluorophenyl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide

(2S)-2-(2,5-difluorophenyl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide (PubChem CID 8972361) has the molecular formula C15H17F2N3OS and a molecular weight of 325.38 g/mol. Its IUPAC name is (2S)-2-(2,5-difluorophenyl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-(2,5-difluorophenyl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
PubChem CID8972361
Molecular FormulaC15H17F2N3OS
Molecular Weight325.38 g/mol
Exact Mass325.11
IUPAC Name(2S)-2-(2,5-difluorophenyl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1NC(=O)[C@H](C)Sc1cc(F)ccc1F
InChIInChI=1S/C15H17F2N3OS/c1-8-14(9(2)20(4)19-8)18-15(21)10(3)22-13-7-11(16)5-6-12(13)17/h5-7,10H,1-4H3,(H,18,21)/t10-/m0/s1
InChIKeyKFMSWPLJVYQQFL-JTQLQIEISA-N
XLogP3.43
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.38
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,5-dichlorophenyl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 46610623
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(2R)-2-naphthalen-2-ylsulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 8883520
(2R)-2-(2,5-difluorophenyl)sulfanyl-N-(2-fluorophenyl)propanamide
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(2R)-2-[[4-amino-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 8845218
(2S)-2-(2,5-difluorophenyl)sulfanyl-N-(2,5-dimethylphenyl)propanamide
CID 9062922
(2R)-2-[[5-[(1S)-1-(4-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 8942020
(2R)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 8880894
(2R)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 8748466
(2S)-N-carbamoyl-2-(2,5-difluorophenyl)sulfanylpropanamide
CID 8870554
[(2S)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 3,4-difluorobenzoate
CID 8653449
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,5-difluorophenyl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The IUPAC name of (2S)-2-(2,5-difluorophenyl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide (CID 8972361) is (2S)-2-(2,5-difluorophenyl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide.
What is the SMILES notation for (2S)-2-(2,5-difluorophenyl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The canonical SMILES for (2S)-2-(2,5-difluorophenyl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide is Cc1nn(C)c(C)c1NC(=O)[C@H](C)Sc1cc(F)ccc1F.
What is the InChIKey of (2S)-2-(2,5-difluorophenyl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The InChIKey is KFMSWPLJVYQQFL-JTQLQIEISA-N. The full InChI is InChI=1S/C15H17F2N3OS/c1-8-14(9(2)20(4)19-8)18-15(21)10(3)22-13-7-11(16)5-6-12(13)17/h5-7,10H,1-4H3,(H,18,21)/t10-/m0/s1.
What are the key properties of (2S)-2-(2,5-difluorophenyl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide?
(2S)-2-(2,5-difluorophenyl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide has a molecular weight of 325.38 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,5-difluorophenyl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide is sourced from PubChem (CID 8972361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).