3-(2-fluorophenyl)sulfanyl-N-(1-hydroxy-3-phenylpropan-2-yl)propanamide

C18H20FNO2S — CID 110935609

IUPAC3-(2-fluorophenyl)sulfanyl-N-(1-hydroxy-3-phenylpropan-2-yl)propanamide
SMILESO=C(CCSc1ccccc1F)NC(CO)Cc1ccccc1
InChIInChI=1S/C18H20FNO2S/c19-16-8-4-5-9-17(16)23-11-10-18(22)20-15(13-21)12-14-6-2-1-3-7-14/h1-9,15,21H,10-13H2,(H,20,22)
InChIKeyYMYUQRDRMNOCKN-UHFFFAOYSA-N
MW333.43 g/mol
LogP3.03
Rot. Bonds8

About 3-(2-fluorophenyl)sulfanyl-N-(1-hydroxy-3-phenylpropan-2-yl)propanamide

3-(2-fluorophenyl)sulfanyl-N-(1-hydroxy-3-phenylpropan-2-yl)propanamide (PubChem CID 110935609) has the molecular formula C18H20FNO2S and a molecular weight of 333.43 g/mol. Its IUPAC name is 3-(2-fluorophenyl)sulfanyl-N-(1-hydroxy-3-phenylpropan-2-yl)propanamide.

Molecular Properties

Compound Name3-(2-fluorophenyl)sulfanyl-N-(1-hydroxy-3-phenylpropan-2-yl)propanamide
PubChem CID110935609
Molecular FormulaC18H20FNO2S
Molecular Weight333.43 g/mol
Exact Mass333.12
IUPAC Name3-(2-fluorophenyl)sulfanyl-N-(1-hydroxy-3-phenylpropan-2-yl)propanamide
SMILESO=C(CCSc1ccccc1F)NC(CO)Cc1ccccc1
InChIInChI=1S/C18H20FNO2S/c19-16-8-4-5-9-17(16)23-11-10-18(22)20-15(13-21)12-14-6-2-1-3-7-14/h1-9,15,21H,10-13H2,(H,20,22)
InChIKeyYMYUQRDRMNOCKN-UHFFFAOYSA-N
XLogP3.03
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-fluorophenyl)sulfanyl-N-[(2S)-1-hydroxybutan-2-yl]propanamide
CID 93041484
N,N'-bis[(2S)-1-hydroxy-3-phenylpropan-2-yl]butanediamide
CID 102096047
(2S)-2-[3-(2-fluorophenyl)sulfanylpropanoylamino]-3-hydroxypropanoic acid
CID 61152189
2-fluoro-N-[3-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-3-oxopropyl]benzamide
CID 46990558
2-[3-(2-fluorophenyl)sulfanylpropanoylamino]butanoic acid
CID 43469420
3-(2-fluorophenyl)sulfanylpropanehydrazide
CID 43236853
N-(1,3-dihydroxypropan-2-yl)-3-phenylsulfanylpropanamide
CID 65315150
6-amino-N-(1-hydroxy-3-phenylpropan-2-yl)-4,4-dimethylhexanamide
CID 65291089
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-(2,4,5-trifluorophenyl)acetamide
CID 99780548
3-(dimethylamino)-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]propanamide
CID 107861208
5-chloro-2-fluoro-N-(1-hydroxy-3-phenylpropan-2-yl)benzamide
CID 63260573
6-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-4-methylhexanamide
CID 107863098

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)sulfanyl-N-(1-hydroxy-3-phenylpropan-2-yl)propanamide?
The IUPAC name of 3-(2-fluorophenyl)sulfanyl-N-(1-hydroxy-3-phenylpropan-2-yl)propanamide (CID 110935609) is 3-(2-fluorophenyl)sulfanyl-N-(1-hydroxy-3-phenylpropan-2-yl)propanamide.
What is the SMILES notation for 3-(2-fluorophenyl)sulfanyl-N-(1-hydroxy-3-phenylpropan-2-yl)propanamide?
The canonical SMILES for 3-(2-fluorophenyl)sulfanyl-N-(1-hydroxy-3-phenylpropan-2-yl)propanamide is O=C(CCSc1ccccc1F)NC(CO)Cc1ccccc1.
What is the InChIKey of 3-(2-fluorophenyl)sulfanyl-N-(1-hydroxy-3-phenylpropan-2-yl)propanamide?
The InChIKey is YMYUQRDRMNOCKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO2S/c19-16-8-4-5-9-17(16)23-11-10-18(22)20-15(13-21)12-14-6-2-1-3-7-14/h1-9,15,21H,10-13H2,(H,20,22).
What are the key properties of 3-(2-fluorophenyl)sulfanyl-N-(1-hydroxy-3-phenylpropan-2-yl)propanamide?
3-(2-fluorophenyl)sulfanyl-N-(1-hydroxy-3-phenylpropan-2-yl)propanamide has a molecular weight of 333.43 g/mol, XLogP of 3.03, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)sulfanyl-N-(1-hydroxy-3-phenylpropan-2-yl)propanamide is sourced from PubChem (CID 110935609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).