2-(4-fluorophenyl)sulfanyl-N-[(2S)-2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]acetamide

C16H17FN2O3S — CID 97428926

IUPAC2-(4-fluorophenyl)sulfanyl-N-[(2S)-2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]acetamide
SMILESO=C(CSc1ccc(F)cc1)NC[C@H](O)Cn1ccccc1=O
InChIInChI=1S/C16H17FN2O3S/c17-12-4-6-14(7-5-12)23-11-15(21)18-9-13(20)10-19-8-2-1-3-16(19)22/h1-8,13,20H,9-11H2,(H,18,21)/t13-/m0/s1
InChIKeyOFTLOCHURSXUKR-ZDUSSCGKSA-N
MW336.39 g/mol
LogP1.26
Rot. Bonds7

About 2-(4-fluorophenyl)sulfanyl-N-[(2S)-2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]acetamide

2-(4-fluorophenyl)sulfanyl-N-[(2S)-2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]acetamide (PubChem CID 97428926) has the molecular formula C16H17FN2O3S and a molecular weight of 336.39 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfanyl-N-[(2S)-2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfanyl-N-[(2S)-2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]acetamide
PubChem CID97428926
Molecular FormulaC16H17FN2O3S
Molecular Weight336.39 g/mol
Exact Mass336.09
IUPAC Name2-(4-fluorophenyl)sulfanyl-N-[(2S)-2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]acetamide
SMILESO=C(CSc1ccc(F)cc1)NC[C@H](O)Cn1ccccc1=O
InChIInChI=1S/C16H17FN2O3S/c17-12-4-6-14(7-5-12)23-11-15(21)18-9-13(20)10-19-8-2-1-3-16(19)22/h1-8,13,20H,9-11H2,(H,18,21)/t13-/m0/s1
InChIKeyOFTLOCHURSXUKR-ZDUSSCGKSA-N
XLogP1.26
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-[(2S)-2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-[(2S)-2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]acetamide (CID 97428926) is 2-(4-fluorophenyl)sulfanyl-N-[(2S)-2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)sulfanyl-N-[(2S)-2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)sulfanyl-N-[(2S)-2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]acetamide is O=C(CSc1ccc(F)cc1)NC[C@H](O)Cn1ccccc1=O.
What is the InChIKey of 2-(4-fluorophenyl)sulfanyl-N-[(2S)-2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]acetamide?
The InChIKey is OFTLOCHURSXUKR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H17FN2O3S/c17-12-4-6-14(7-5-12)23-11-15(21)18-9-13(20)10-19-8-2-1-3-16(19)22/h1-8,13,20H,9-11H2,(H,18,21)/t13-/m0/s1.
What are the key properties of 2-(4-fluorophenyl)sulfanyl-N-[(2S)-2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]acetamide?
2-(4-fluorophenyl)sulfanyl-N-[(2S)-2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]acetamide has a molecular weight of 336.39 g/mol, XLogP of 1.26, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfanyl-N-[(2S)-2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]acetamide is sourced from PubChem (CID 97428926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).