N-(2-fluorophenyl)-2-(3-hydroxypropylsulfanyl)acetamide

C11H14FNO2S — CID 60623801

IUPACN-(2-fluorophenyl)-2-(3-hydroxypropylsulfanyl)acetamide
SMILESO=C(CSCCCO)Nc1ccccc1F
InChIInChI=1S/C11H14FNO2S/c12-9-4-1-2-5-10(9)13-11(15)8-16-7-3-6-14/h1-2,4-5,14H,3,6-8H2,(H,13,15)
InChIKeySGANKTOFGAEUND-UHFFFAOYSA-N
MW243.30 g/mol
LogP1.88
Rot. Bonds6

About N-(2-fluorophenyl)-2-(3-hydroxypropylsulfanyl)acetamide

N-(2-fluorophenyl)-2-(3-hydroxypropylsulfanyl)acetamide (PubChem CID 60623801) has the molecular formula C11H14FNO2S and a molecular weight of 243.30 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-(3-hydroxypropylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-(3-hydroxypropylsulfanyl)acetamide
PubChem CID60623801
Molecular FormulaC11H14FNO2S
Molecular Weight243.30 g/mol
Exact Mass243.07
IUPAC NameN-(2-fluorophenyl)-2-(3-hydroxypropylsulfanyl)acetamide
SMILESO=C(CSCCCO)Nc1ccccc1F
InChIInChI=1S/C11H14FNO2S/c12-9-4-1-2-5-10(9)13-11(15)8-16-7-3-6-14/h1-2,4-5,14H,3,6-8H2,(H,13,15)
InChIKeySGANKTOFGAEUND-UHFFFAOYSA-N
XLogP1.88
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(5-amino-2-fluorophenyl)-2-(3-hydroxypropylsulfanyl)acetamide
CID 66116080
N-(2-fluorophenyl)-5-hydroxypentanamide
CID 79019059
2-(2,3-dihydroxypropylsulfanyl)-N-(2-fluorophenyl)acetamide
CID 79683205
2-(2-amino-2-methylpropyl)sulfanyl-N-(2-fluorophenyl)acetamide
CID 66228322
N-(5-fluoro-2-methylphenyl)-2-(3-hydroxypropylsulfanyl)acetamide
CID 66127421
2-[4-[2-(2,4-difluoroanilino)-2-oxoethyl]sulfanylbutylsulfanyl]-N-(2,4-difluorophenyl)acetamide
CID 4215969
2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-N-(4-methylsulfanylphenyl)acetamide
CID 17482942
2-(azetidin-3-ylmethylsulfanyl)-N-(2-fluorophenyl)acetamide
CID 66288434
2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 30583413
N-(2-fluorophenyl)-2-iodoacetamide
CID 12611676
2-(3-aminopropylsulfanyl)-N-(2,6-difluorophenyl)acetamide
CID 66217561
benzyl 2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylacetate
CID 7812607

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-(3-hydroxypropylsulfanyl)acetamide?
The IUPAC name of N-(2-fluorophenyl)-2-(3-hydroxypropylsulfanyl)acetamide (CID 60623801) is N-(2-fluorophenyl)-2-(3-hydroxypropylsulfanyl)acetamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-(3-hydroxypropylsulfanyl)acetamide?
The canonical SMILES for N-(2-fluorophenyl)-2-(3-hydroxypropylsulfanyl)acetamide is O=C(CSCCCO)Nc1ccccc1F.
What is the InChIKey of N-(2-fluorophenyl)-2-(3-hydroxypropylsulfanyl)acetamide?
The InChIKey is SGANKTOFGAEUND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO2S/c12-9-4-1-2-5-10(9)13-11(15)8-16-7-3-6-14/h1-2,4-5,14H,3,6-8H2,(H,13,15).
What are the key properties of N-(2-fluorophenyl)-2-(3-hydroxypropylsulfanyl)acetamide?
N-(2-fluorophenyl)-2-(3-hydroxypropylsulfanyl)acetamide has a molecular weight of 243.30 g/mol, XLogP of 1.88, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-(3-hydroxypropylsulfanyl)acetamide is sourced from PubChem (CID 60623801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).