2-(4-fluorophenyl)sulfanyl-N-[(1S)-1-pyridin-2-ylethyl]acetamide

C15H15FN2OS — CID 35938252

IUPAC2-(4-fluorophenyl)sulfanyl-N-[(1S)-1-pyridin-2-ylethyl]acetamide
SMILESC[C@H](NC(=O)CSc1ccc(F)cc1)c1ccccn1
InChIInChI=1S/C15H15FN2OS/c1-11(14-4-2-3-9-17-14)18-15(19)10-20-13-7-5-12(16)6-8-13/h2-9,11H,10H2,1H3,(H,18,19)/t11-/m0/s1
InChIKeyJKZJEBOPXOLWSC-NSHDSACASA-N
MW290.36 g/mol
LogP3.19
Rot. Bonds5

About 2-(4-fluorophenyl)sulfanyl-N-[(1S)-1-pyridin-2-ylethyl]acetamide

2-(4-fluorophenyl)sulfanyl-N-[(1S)-1-pyridin-2-ylethyl]acetamide (PubChem CID 35938252) has the molecular formula C15H15FN2OS and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfanyl-N-[(1S)-1-pyridin-2-ylethyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfanyl-N-[(1S)-1-pyridin-2-ylethyl]acetamide
PubChem CID35938252
Molecular FormulaC15H15FN2OS
Molecular Weight290.36 g/mol
Exact Mass290.09
IUPAC Name2-(4-fluorophenyl)sulfanyl-N-[(1S)-1-pyridin-2-ylethyl]acetamide
SMILESC[C@H](NC(=O)CSc1ccc(F)cc1)c1ccccn1
InChIInChI=1S/C15H15FN2OS/c1-11(14-4-2-3-9-17-14)18-15(19)10-20-13-7-5-12(16)6-8-13/h2-9,11H,10H2,1H3,(H,18,19)/t11-/m0/s1
InChIKeyJKZJEBOPXOLWSC-NSHDSACASA-N
XLogP3.19
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorophenyl)sulfanyl-N-[(1R)-1-phenylethyl]acetamide
CID 894218
1-[(1R)-1-(4-fluorophenyl)ethyl]-3-[(1R)-1-pyridin-2-ylethyl]urea
CID 33431970
2-[2-oxo-2-[[(1S)-1-pyridin-2-ylethyl]amino]ethyl]sulfanylacetic acid
CID 104570205
N-[(1R)-1-pyridin-2-ylethyl]propanamide
CID 59509331
2-bromo-N-[(1S)-1-pyridin-2-ylethyl]acetamide
CID 81401514
2-(4-aminophenyl)sulfanyl-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 43299114
2-(propan-2-ylamino)-N-[(1R)-1-pyridin-2-ylethyl]acetamide
CID 81407440
N-[(1R)-1-(3-chlorophenyl)ethyl]-2-(4-fluorophenyl)sulfanylacetamide
CID 7284441
2-(4-ethoxyphenyl)sulfanyl-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 134028864
4-oxo-4-(1-pyridin-2-ylethylamino)butanoic acid
CID 43529024
3-amino-N-(1-pyridin-2-ylethyl)butanamide;dihydrochloride
CID 119830348
2-methoxy-N-[(1R)-1-pyridin-2-ylethyl]acetamide
CID 81407538

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-[(1S)-1-pyridin-2-ylethyl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-[(1S)-1-pyridin-2-ylethyl]acetamide (CID 35938252) is 2-(4-fluorophenyl)sulfanyl-N-[(1S)-1-pyridin-2-ylethyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)sulfanyl-N-[(1S)-1-pyridin-2-ylethyl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)sulfanyl-N-[(1S)-1-pyridin-2-ylethyl]acetamide is C[C@H](NC(=O)CSc1ccc(F)cc1)c1ccccn1.
What is the InChIKey of 2-(4-fluorophenyl)sulfanyl-N-[(1S)-1-pyridin-2-ylethyl]acetamide?
The InChIKey is JKZJEBOPXOLWSC-NSHDSACASA-N. The full InChI is InChI=1S/C15H15FN2OS/c1-11(14-4-2-3-9-17-14)18-15(19)10-20-13-7-5-12(16)6-8-13/h2-9,11H,10H2,1H3,(H,18,19)/t11-/m0/s1.
What are the key properties of 2-(4-fluorophenyl)sulfanyl-N-[(1S)-1-pyridin-2-ylethyl]acetamide?
2-(4-fluorophenyl)sulfanyl-N-[(1S)-1-pyridin-2-ylethyl]acetamide has a molecular weight of 290.36 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfanyl-N-[(1S)-1-pyridin-2-ylethyl]acetamide is sourced from PubChem (CID 35938252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).