(2S)-2-(4-fluorophenyl)sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide

C15H18FN3OS — CID 7553496

IUPAC(2S)-2-(4-fluorophenyl)sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide
SMILESCC(C)n1nccc1NC(=O)[C@H](C)Sc1ccc(F)cc1
InChIInChI=1S/C15H18FN3OS/c1-10(2)19-14(8-9-17-19)18-15(20)11(3)21-13-6-4-12(16)5-7-13/h4-11H,1-3H3,(H,18,20)/t11-/m0/s1
InChIKeyUDMCMZRDKGNSBM-NSHDSACASA-N
MW307.39 g/mol
LogP3.72
Rot. Bonds5

About (2S)-2-(4-fluorophenyl)sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide

(2S)-2-(4-fluorophenyl)sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide (PubChem CID 7553496) has the molecular formula C15H18FN3OS and a molecular weight of 307.39 g/mol. Its IUPAC name is (2S)-2-(4-fluorophenyl)sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-(4-fluorophenyl)sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide
PubChem CID7553496
Molecular FormulaC15H18FN3OS
Molecular Weight307.39 g/mol
Exact Mass307.12
IUPAC Name(2S)-2-(4-fluorophenyl)sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide
SMILESCC(C)n1nccc1NC(=O)[C@H](C)Sc1ccc(F)cc1
InChIInChI=1S/C15H18FN3OS/c1-10(2)19-14(8-9-17-19)18-15(20)11(3)21-13-6-4-12(16)5-7-13/h4-11H,1-3H3,(H,18,20)/t11-/m0/s1
InChIKeyUDMCMZRDKGNSBM-NSHDSACASA-N
XLogP3.72
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-fluorophenyl)sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide?
The IUPAC name of (2S)-2-(4-fluorophenyl)sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide (CID 7553496) is (2S)-2-(4-fluorophenyl)sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide.
What is the SMILES notation for (2S)-2-(4-fluorophenyl)sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide?
The canonical SMILES for (2S)-2-(4-fluorophenyl)sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide is CC(C)n1nccc1NC(=O)[C@H](C)Sc1ccc(F)cc1.
What is the InChIKey of (2S)-2-(4-fluorophenyl)sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide?
The InChIKey is UDMCMZRDKGNSBM-NSHDSACASA-N. The full InChI is InChI=1S/C15H18FN3OS/c1-10(2)19-14(8-9-17-19)18-15(20)11(3)21-13-6-4-12(16)5-7-13/h4-11H,1-3H3,(H,18,20)/t11-/m0/s1.
What are the key properties of (2S)-2-(4-fluorophenyl)sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide?
(2S)-2-(4-fluorophenyl)sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide has a molecular weight of 307.39 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-fluorophenyl)sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide is sourced from PubChem (CID 7553496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).