3-(4-fluorophenyl)sulfanyl-N-[(2R)-1-hydroxybutan-2-yl]propanamide

C13H18FNO2S — CID 103920317

IUPAC3-(4-fluorophenyl)sulfanyl-N-[(2R)-1-hydroxybutan-2-yl]propanamide
SMILESCC[C@H](CO)NC(=O)CCSc1ccc(F)cc1
InChIInChI=1S/C13H18FNO2S/c1-2-11(9-16)15-13(17)7-8-18-12-5-3-10(14)4-6-12/h3-6,11,16H,2,7-9H2,1H3,(H,15,17)/t11-/m1/s1
InChIKeyZZEURTVTEOOKHS-LLVKDONJSA-N
MW271.36 g/mol
LogP2.19
Rot. Bonds7

About 3-(4-fluorophenyl)sulfanyl-N-[(2R)-1-hydroxybutan-2-yl]propanamide

3-(4-fluorophenyl)sulfanyl-N-[(2R)-1-hydroxybutan-2-yl]propanamide (PubChem CID 103920317) has the molecular formula C13H18FNO2S and a molecular weight of 271.36 g/mol. Its IUPAC name is 3-(4-fluorophenyl)sulfanyl-N-[(2R)-1-hydroxybutan-2-yl]propanamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)sulfanyl-N-[(2R)-1-hydroxybutan-2-yl]propanamide
PubChem CID103920317
Molecular FormulaC13H18FNO2S
Molecular Weight271.36 g/mol
Exact Mass271.10
IUPAC Name3-(4-fluorophenyl)sulfanyl-N-[(2R)-1-hydroxybutan-2-yl]propanamide
SMILESCC[C@H](CO)NC(=O)CCSc1ccc(F)cc1
InChIInChI=1S/C13H18FNO2S/c1-2-11(9-16)15-13(17)7-8-18-12-5-3-10(14)4-6-12/h3-6,11,16H,2,7-9H2,1H3,(H,15,17)/t11-/m1/s1
InChIKeyZZEURTVTEOOKHS-LLVKDONJSA-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

N-(1-hydroxybutan-2-yl)-3-phenylsulfanylpropanamide
CID 43390276
3-(2-fluorophenyl)sulfanyl-N-[(2S)-1-hydroxybutan-2-yl]propanamide
CID 93041484
2-(4-chlorophenyl)sulfanyl-N-(1-hydroxybutan-2-yl)acetamide
CID 43390409
N-(1,3-dihydroxypropan-2-yl)-3-phenylsulfanylpropanamide
CID 65315150
3-(4-fluorophenyl)sulfanyl-N-[(2S)-1-methoxypropan-2-yl]propanamide
CID 94811265
ethyl (2R)-2-[3-(4-fluorophenyl)sulfanylpropanoylamino]propanoate
CID 94194015
3-(2-chlorophenyl)sulfanyl-N-(1-hydroxybutan-2-yl)propanamide
CID 43390274
(2S)-2-[3-(4-fluorophenyl)sulfanylpropanoylamino]hexanoic acid
CID 107143886
3-(4-fluorophenyl)sulfanyl-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide
CID 103855886
2-(4-bromophenyl)sulfanyl-N-(1-hydroxybutan-2-yl)acetamide
CID 43390377
N-(1-hydroxy-4-methylpentan-2-yl)-3-phenylsulfanylpropanamide
CID 61246212
3-(4-fluorophenyl)sulfanyl-N-(1-thiophen-2-ylethyl)propanamide
CID 47098774

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)sulfanyl-N-[(2R)-1-hydroxybutan-2-yl]propanamide?
The IUPAC name of 3-(4-fluorophenyl)sulfanyl-N-[(2R)-1-hydroxybutan-2-yl]propanamide (CID 103920317) is 3-(4-fluorophenyl)sulfanyl-N-[(2R)-1-hydroxybutan-2-yl]propanamide.
What is the SMILES notation for 3-(4-fluorophenyl)sulfanyl-N-[(2R)-1-hydroxybutan-2-yl]propanamide?
The canonical SMILES for 3-(4-fluorophenyl)sulfanyl-N-[(2R)-1-hydroxybutan-2-yl]propanamide is CC[C@H](CO)NC(=O)CCSc1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)sulfanyl-N-[(2R)-1-hydroxybutan-2-yl]propanamide?
The InChIKey is ZZEURTVTEOOKHS-LLVKDONJSA-N. The full InChI is InChI=1S/C13H18FNO2S/c1-2-11(9-16)15-13(17)7-8-18-12-5-3-10(14)4-6-12/h3-6,11,16H,2,7-9H2,1H3,(H,15,17)/t11-/m1/s1.
What are the key properties of 3-(4-fluorophenyl)sulfanyl-N-[(2R)-1-hydroxybutan-2-yl]propanamide?
3-(4-fluorophenyl)sulfanyl-N-[(2R)-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-(4-fluorophenyl)sulfanyl-N-[(2R)-1-hydroxybutan-2-yl]propanamide is sourced from PubChem (CID 103920317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).