3-(2-fluorophenyl)sulfanyl-N-[(2S)-1-hydroxybutan-2-yl]propanamide

C13H18FNO2S — CID 93041484

IUPAC3-(2-fluorophenyl)sulfanyl-N-[(2S)-1-hydroxybutan-2-yl]propanamide
SMILESCC[C@@H](CO)NC(=O)CCSc1ccccc1F
InChIInChI=1S/C13H18FNO2S/c1-2-10(9-16)15-13(17)7-8-18-12-6-4-3-5-11(12)14/h3-6,10,16H,2,7-9H2,1H3,(H,15,17)/t10-/m0/s1
InChIKeyXATNAMHVNBITGL-JTQLQIEISA-N
MW271.36 g/mol
LogP2.19
Rot. Bonds7

About 3-(2-fluorophenyl)sulfanyl-N-[(2S)-1-hydroxybutan-2-yl]propanamide

3-(2-fluorophenyl)sulfanyl-N-[(2S)-1-hydroxybutan-2-yl]propanamide (PubChem CID 93041484) has the molecular formula C13H18FNO2S and a molecular weight of 271.36 g/mol. Its IUPAC name is 3-(2-fluorophenyl)sulfanyl-N-[(2S)-1-hydroxybutan-2-yl]propanamide.

Molecular Properties

Compound Name3-(2-fluorophenyl)sulfanyl-N-[(2S)-1-hydroxybutan-2-yl]propanamide
PubChem CID93041484
Molecular FormulaC13H18FNO2S
Molecular Weight271.36 g/mol
Exact Mass271.10
IUPAC Name3-(2-fluorophenyl)sulfanyl-N-[(2S)-1-hydroxybutan-2-yl]propanamide
SMILESCC[C@@H](CO)NC(=O)CCSc1ccccc1F
InChIInChI=1S/C13H18FNO2S/c1-2-10(9-16)15-13(17)7-8-18-12-6-4-3-5-11(12)14/h3-6,10,16H,2,7-9H2,1H3,(H,15,17)/t10-/m0/s1
InChIKeyXATNAMHVNBITGL-JTQLQIEISA-N
XLogP2.19
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-fluorophenyl)sulfanyl-N-(1-hydroxy-3-phenylpropan-2-yl)propanamide
CID 110935609
3-(2-chlorophenyl)sulfanyl-N-(1-hydroxybutan-2-yl)propanamide
CID 43390274
N-(1-hydroxybutan-2-yl)-3-phenylsulfanylpropanamide
CID 43390276
2-[3-(2-fluorophenyl)sulfanylpropanoylamino]butanoic acid
CID 43469420
3-(4-fluorophenyl)sulfanyl-N-[(2R)-1-hydroxybutan-2-yl]propanamide
CID 103920317
2-(2-fluorophenyl)sulfanyl-N-(1-hydroxypentan-3-yl)acetamide
CID 115767175
(2S)-2-[3-(2-fluorophenyl)sulfanylpropanoylamino]-3-hydroxypropanoic acid
CID 61152189
3-(2-fluorophenyl)sulfanylpropanehydrazide
CID 43236853
2-(2,4-difluorophenyl)sulfanyl-N-[(2R)-1-hydroxybutan-2-yl]acetamide
CID 103919914
methyl 2-[3-(2-fluorophenyl)sulfanylpropanoylamino]-3-methylbutanoate
CID 43408320
N-[(2S)-1-hydroxybutan-2-yl]-2-(2-methylphenyl)sulfanylacetamide
CID 93032378
3-(2-fluorophenyl)sulfanyl-N-[(2R)-2-hydroxypropyl]propanamide
CID 83032259

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)sulfanyl-N-[(2S)-1-hydroxybutan-2-yl]propanamide?
The IUPAC name of 3-(2-fluorophenyl)sulfanyl-N-[(2S)-1-hydroxybutan-2-yl]propanamide (CID 93041484) is 3-(2-fluorophenyl)sulfanyl-N-[(2S)-1-hydroxybutan-2-yl]propanamide.
What is the SMILES notation for 3-(2-fluorophenyl)sulfanyl-N-[(2S)-1-hydroxybutan-2-yl]propanamide?
The canonical SMILES for 3-(2-fluorophenyl)sulfanyl-N-[(2S)-1-hydroxybutan-2-yl]propanamide is CC[C@@H](CO)NC(=O)CCSc1ccccc1F.
What is the InChIKey of 3-(2-fluorophenyl)sulfanyl-N-[(2S)-1-hydroxybutan-2-yl]propanamide?
The InChIKey is XATNAMHVNBITGL-JTQLQIEISA-N. The full InChI is InChI=1S/C13H18FNO2S/c1-2-10(9-16)15-13(17)7-8-18-12-6-4-3-5-11(12)14/h3-6,10,16H,2,7-9H2,1H3,(H,15,17)/t10-/m0/s1.
What are the key properties of 3-(2-fluorophenyl)sulfanyl-N-[(2S)-1-hydroxybutan-2-yl]propanamide?
3-(2-fluorophenyl)sulfanyl-N-[(2S)-1-hydroxybutan-2-yl]propanamide has a molecular weight of 271.36 g/mol, XLogP of 2.19, 7 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-[(2S)-1-hydroxybutan-2-yl]propanamide is sourced from PubChem (CID 93041484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).