3-(2-fluorophenyl)sulfanyl-N-[(2R)-2-hydroxypropyl]propanamide

C12H16FNO2S — CID 83032259

IUPAC3-(2-fluorophenyl)sulfanyl-N-[(2R)-2-hydroxypropyl]propanamide
SMILESC[C@@H](O)CNC(=O)CCSc1ccccc1F
InChIInChI=1S/C12H16FNO2S/c1-9(15)8-14-12(16)6-7-17-11-5-3-2-4-10(11)13/h2-5,9,15H,6-8H2,1H3,(H,14,16)/t9-/m1/s1
InChIKeyAVWCOPWKBLDASG-SECBINFHSA-N
MW257.33 g/mol
LogP1.80
Rot. Bonds6

About 3-(2-fluorophenyl)sulfanyl-N-[(2R)-2-hydroxypropyl]propanamide

3-(2-fluorophenyl)sulfanyl-N-[(2R)-2-hydroxypropyl]propanamide (PubChem CID 83032259) has the molecular formula C12H16FNO2S and a molecular weight of 257.33 g/mol. Its IUPAC name is 3-(2-fluorophenyl)sulfanyl-N-[(2R)-2-hydroxypropyl]propanamide.

Molecular Properties

Compound Name3-(2-fluorophenyl)sulfanyl-N-[(2R)-2-hydroxypropyl]propanamide
PubChem CID83032259
Molecular FormulaC12H16FNO2S
Molecular Weight257.33 g/mol
Exact Mass257.09
IUPAC Name3-(2-fluorophenyl)sulfanyl-N-[(2R)-2-hydroxypropyl]propanamide
SMILESC[C@@H](O)CNC(=O)CCSc1ccccc1F
InChIInChI=1S/C12H16FNO2S/c1-9(15)8-14-12(16)6-7-17-11-5-3-2-4-10(11)13/h2-5,9,15H,6-8H2,1H3,(H,14,16)/t9-/m1/s1
InChIKeyAVWCOPWKBLDASG-SECBINFHSA-N
XLogP1.80
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-fluorophenyl)sulfanyl-N-[2-(methylamino)ethyl]propanamide
CID 119502265
3-(2-fluorophenyl)sulfanylpropanehydrazide
CID 43236853
2-[[2-[3-(2-fluorophenyl)sulfanylpropanoylamino]acetyl]amino]acetic acid
CID 43465386
3-(2-fluorophenyl)sulfanyl-N-(3-hydroxypropyl)propanamide
CID 43417674
3-(2-fluorophenyl)-N-(2-hydroxypropyl)propanamide
CID 110886726
methyl 2-[3-(2-fluorophenyl)sulfanylpropanoylamino]-3-methylbutanoate
CID 43408320
2-[3-(2-fluorophenyl)sulfanylpropanoylamino]-N-(2-methylpropyl)benzamide
CID 34733202
2-(2-fluorophenyl)sulfanyl-N-(3-methyl-2-propan-2-ylbutyl)acetamide
CID 102914295
1-[[3-(2-fluorophenyl)sulfanylpropanoylamino]methyl]cyclopropane-1-carboxylic acid
CID 115449302
4-[[3-(2-fluorophenyl)sulfanylpropanoylamino]methyl]-N-methylbenzamide
CID 134007376
3-(2-fluorophenyl)sulfanyl-N-[(2S)-1-hydroxybutan-2-yl]propanamide
CID 93041484
2-[3-(2-fluorophenyl)sulfanylpropanoylamino]butanoic acid
CID 43469420

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)sulfanyl-N-[(2R)-2-hydroxypropyl]propanamide?
The IUPAC name of 3-(2-fluorophenyl)sulfanyl-N-[(2R)-2-hydroxypropyl]propanamide (CID 83032259) is 3-(2-fluorophenyl)sulfanyl-N-[(2R)-2-hydroxypropyl]propanamide.
What is the SMILES notation for 3-(2-fluorophenyl)sulfanyl-N-[(2R)-2-hydroxypropyl]propanamide?
The canonical SMILES for 3-(2-fluorophenyl)sulfanyl-N-[(2R)-2-hydroxypropyl]propanamide is C[C@@H](O)CNC(=O)CCSc1ccccc1F.
What is the InChIKey of 3-(2-fluorophenyl)sulfanyl-N-[(2R)-2-hydroxypropyl]propanamide?
The InChIKey is AVWCOPWKBLDASG-SECBINFHSA-N. The full InChI is InChI=1S/C12H16FNO2S/c1-9(15)8-14-12(16)6-7-17-11-5-3-2-4-10(11)13/h2-5,9,15H,6-8H2,1H3,(H,14,16)/t9-/m1/s1.
What are the key properties of 3-(2-fluorophenyl)sulfanyl-N-[(2R)-2-hydroxypropyl]propanamide?
3-(2-fluorophenyl)sulfanyl-N-[(2R)-2-hydroxypropyl]propanamide has a molecular weight of 257.33 g/mol, XLogP of 1.80, 6 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-[(2R)-2-hydroxypropyl]propanamide is sourced from PubChem (CID 83032259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).