N-(5-fluoro-2-methylphenyl)-2-(3-hydroxypropylsulfanyl)acetamide

C12H16FNO2S — CID 66127421

IUPACN-(5-fluoro-2-methylphenyl)-2-(3-hydroxypropylsulfanyl)acetamide
SMILESCc1ccc(F)cc1NC(=O)CSCCCO
InChIInChI=1S/C12H16FNO2S/c1-9-3-4-10(13)7-11(9)14-12(16)8-17-6-2-5-15/h3-4,7,15H,2,5-6,8H2,1H3,(H,14,16)
InChIKeyAMKHYBPKHAYYGK-UHFFFAOYSA-N
MW257.33 g/mol
LogP2.19
Rot. Bonds6

About N-(5-fluoro-2-methylphenyl)-2-(3-hydroxypropylsulfanyl)acetamide

N-(5-fluoro-2-methylphenyl)-2-(3-hydroxypropylsulfanyl)acetamide (PubChem CID 66127421) has the molecular formula C12H16FNO2S and a molecular weight of 257.33 g/mol. Its IUPAC name is N-(5-fluoro-2-methylphenyl)-2-(3-hydroxypropylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(5-fluoro-2-methylphenyl)-2-(3-hydroxypropylsulfanyl)acetamide
PubChem CID66127421
Molecular FormulaC12H16FNO2S
Molecular Weight257.33 g/mol
Exact Mass257.09
IUPAC NameN-(5-fluoro-2-methylphenyl)-2-(3-hydroxypropylsulfanyl)acetamide
SMILESCc1ccc(F)cc1NC(=O)CSCCCO
InChIInChI=1S/C12H16FNO2S/c1-9-3-4-10(13)7-11(9)14-12(16)8-17-6-2-5-15/h3-4,7,15H,2,5-6,8H2,1H3,(H,14,16)
InChIKeyAMKHYBPKHAYYGK-UHFFFAOYSA-N
XLogP2.19
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 ≤ 52.19
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

2-(3-aminopropylsulfanyl)-N-(5-fluoro-2-methylphenyl)acetamide
CID 66216831
N-(5-amino-2-methylphenyl)-2-(3-hydroxypropylsulfanyl)acetamide
CID 66115840
2-[4-[2-(2,4-difluoroanilino)-2-oxoethyl]sulfanylbutylsulfanyl]-N-(2,4-difluorophenyl)acetamide
CID 4215969
N-(5-fluoro-2-methylphenyl)-2-phenylsulfanylacetamide
CID 2501507
2-amino-N-(5-fluoro-2-methylphenyl)acetamide
CID 24700155
N-(5-amino-2-methylphenyl)-2-butylsulfanylacetamide
CID 43615751
N-(5-amino-2-fluorophenyl)-2-(3-hydroxypropylsulfanyl)acetamide
CID 66116080
[2-(5-fluoro-2-methylanilino)-2-oxoethyl] N'-aminocarbamimidothioate
CID 77059988
N-(5-amino-2-methylphenyl)-3-(3-hydroxypropylsulfanyl)propanamide
CID 66114935
2-[(2-ethoxyphenyl)methylsulfanyl]-N-(5-fluoro-2-methylphenyl)acetamide
CID 18084613
4-amino-N-(5-fluoro-2-methylphenyl)butanamide;hydrochloride
CID 119263253
2-[butyl(2-hydroxyethyl)amino]-N-(5-fluoro-2-methylphenyl)acetamide
CID 60689165

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-methylphenyl)-2-(3-hydroxypropylsulfanyl)acetamide?
The IUPAC name of N-(5-fluoro-2-methylphenyl)-2-(3-hydroxypropylsulfanyl)acetamide (CID 66127421) is N-(5-fluoro-2-methylphenyl)-2-(3-hydroxypropylsulfanyl)acetamide.
What is the SMILES notation for N-(5-fluoro-2-methylphenyl)-2-(3-hydroxypropylsulfanyl)acetamide?
The canonical SMILES for N-(5-fluoro-2-methylphenyl)-2-(3-hydroxypropylsulfanyl)acetamide is Cc1ccc(F)cc1NC(=O)CSCCCO.
What is the InChIKey of N-(5-fluoro-2-methylphenyl)-2-(3-hydroxypropylsulfanyl)acetamide?
The InChIKey is AMKHYBPKHAYYGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO2S/c1-9-3-4-10(13)7-11(9)14-12(16)8-17-6-2-5-15/h3-4,7,15H,2,5-6,8H2,1H3,(H,14,16).
What are the key properties of N-(5-fluoro-2-methylphenyl)-2-(3-hydroxypropylsulfanyl)acetamide?
N-(5-fluoro-2-methylphenyl)-2-(3-hydroxypropylsulfanyl)acetamide has a molecular weight of 257.33 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-methylphenyl)-2-(3-hydroxypropylsulfanyl)acetamide is sourced from PubChem (CID 66127421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).