2-(2,3-dihydroxypropylsulfanyl)-N-(2-fluorophenyl)acetamide

C11H14FNO3S — CID 79683205

IUPAC2-(2,3-dihydroxypropylsulfanyl)-N-(2-fluorophenyl)acetamide
SMILESO=C(CSCC(O)CO)Nc1ccccc1F
InChIInChI=1S/C11H14FNO3S/c12-9-3-1-2-4-10(9)13-11(16)7-17-6-8(15)5-14/h1-4,8,14-15H,5-7H2,(H,13,16)
InChIKeyDIPJWKDRHSYACG-UHFFFAOYSA-N
MW259.30 g/mol
LogP0.85
Rot. Bonds6

About 2-(2,3-dihydroxypropylsulfanyl)-N-(2-fluorophenyl)acetamide

2-(2,3-dihydroxypropylsulfanyl)-N-(2-fluorophenyl)acetamide (PubChem CID 79683205) has the molecular formula C11H14FNO3S and a molecular weight of 259.30 g/mol. Its IUPAC name is 2-(2,3-dihydroxypropylsulfanyl)-N-(2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(2,3-dihydroxypropylsulfanyl)-N-(2-fluorophenyl)acetamide
PubChem CID79683205
Molecular FormulaC11H14FNO3S
Molecular Weight259.30 g/mol
Exact Mass259.07
IUPAC Name2-(2,3-dihydroxypropylsulfanyl)-N-(2-fluorophenyl)acetamide
SMILESO=C(CSCC(O)CO)Nc1ccccc1F
InChIInChI=1S/C11H14FNO3S/c12-9-3-1-2-4-10(9)13-11(16)7-17-6-8(15)5-14/h1-4,8,14-15H,5-7H2,(H,13,16)
InChIKeyDIPJWKDRHSYACG-UHFFFAOYSA-N
XLogP0.85
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-fluorophenyl)-2-(3-hydroxypropylsulfanyl)acetamide
CID 60623801
2-(2,3-dihydroxypropylsulfanyl)-N-(2,3-dimethylphenyl)acetamide
CID 79682094
(5R)-N-(2-fluorophenyl)-5,6-dihydroxyhexanamide
CID 176680522
2-(2-amino-2-methylpropyl)sulfanyl-N-(2-fluorophenyl)acetamide
CID 66228322
N-(2-amino-4-methylphenyl)-2-(2,3-dihydroxypropylsulfanyl)acetamide
CID 79681828
2-[[2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylacetyl]amino]-N-propan-2-ylacetamide
CID 9301491
2-(2,3-dihydroxypropylsulfanyl)-N-(8λ4-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-2-yl)acetamide
CID 79682658
2-benzhydrylsulfanyl-N-(2-fluorophenyl)acetamide
CID 18272928
2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-N-(4-methylsulfanylphenyl)acetamide
CID 17482942
2-(4-bromophenyl)sulfanyl-N-(2-fluorophenyl)acetamide
CID 2194605
[(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylacetate
CID 7812600
2-(2,5-dimethylphenyl)sulfanyl-N-(2-fluorophenyl)acetamide
CID 2616290

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydroxypropylsulfanyl)-N-(2-fluorophenyl)acetamide?
The IUPAC name of 2-(2,3-dihydroxypropylsulfanyl)-N-(2-fluorophenyl)acetamide (CID 79683205) is 2-(2,3-dihydroxypropylsulfanyl)-N-(2-fluorophenyl)acetamide.
What is the SMILES notation for 2-(2,3-dihydroxypropylsulfanyl)-N-(2-fluorophenyl)acetamide?
The canonical SMILES for 2-(2,3-dihydroxypropylsulfanyl)-N-(2-fluorophenyl)acetamide is O=C(CSCC(O)CO)Nc1ccccc1F.
What is the InChIKey of 2-(2,3-dihydroxypropylsulfanyl)-N-(2-fluorophenyl)acetamide?
The InChIKey is DIPJWKDRHSYACG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO3S/c12-9-3-1-2-4-10(9)13-11(16)7-17-6-8(15)5-14/h1-4,8,14-15H,5-7H2,(H,13,16).
What are the key properties of 2-(2,3-dihydroxypropylsulfanyl)-N-(2-fluorophenyl)acetamide?
2-(2,3-dihydroxypropylsulfanyl)-N-(2-fluorophenyl)acetamide has a molecular weight of 259.30 g/mol, XLogP of 0.85, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydroxypropylsulfanyl)-N-(2-fluorophenyl)acetamide is sourced from PubChem (CID 79683205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).