2-(3-fluoro-4-methoxyphenyl)-N-[2-(3-hydroxypropylsulfanyl)ethyl]acetamide

C14H20FNO3S — CID 103800898

IUPAC2-(3-fluoro-4-methoxyphenyl)-N-[2-(3-hydroxypropylsulfanyl)ethyl]acetamide
SMILESCOc1ccc(CC(=O)NCCSCCCO)cc1F
InChIInChI=1S/C14H20FNO3S/c1-19-13-4-3-11(9-12(13)15)10-14(18)16-5-8-20-7-2-6-17/h3-4,9,17H,2,5-8,10H2,1H3,(H,16,18)
InChIKeyIRIBZIDAENUYCG-UHFFFAOYSA-N
MW301.38 g/mol
LogP1.61
Rot. Bonds9

About 2-(3-fluoro-4-methoxyphenyl)-N-[2-(3-hydroxypropylsulfanyl)ethyl]acetamide

2-(3-fluoro-4-methoxyphenyl)-N-[2-(3-hydroxypropylsulfanyl)ethyl]acetamide (PubChem CID 103800898) has the molecular formula C14H20FNO3S and a molecular weight of 301.38 g/mol. Its IUPAC name is 2-(3-fluoro-4-methoxyphenyl)-N-[2-(3-hydroxypropylsulfanyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(3-fluoro-4-methoxyphenyl)-N-[2-(3-hydroxypropylsulfanyl)ethyl]acetamide
PubChem CID103800898
Molecular FormulaC14H20FNO3S
Molecular Weight301.38 g/mol
Exact Mass301.11
IUPAC Name2-(3-fluoro-4-methoxyphenyl)-N-[2-(3-hydroxypropylsulfanyl)ethyl]acetamide
SMILESCOc1ccc(CC(=O)NCCSCCCO)cc1F
InChIInChI=1S/C14H20FNO3S/c1-19-13-4-3-11(9-12(13)15)10-14(18)16-5-8-20-7-2-6-17/h3-4,9,17H,2,5-8,10H2,1H3,(H,16,18)
InChIKeyIRIBZIDAENUYCG-UHFFFAOYSA-N
XLogP1.61
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[[2-(3-fluoro-4-methoxyphenyl)acetyl]amino]ethylsulfanyl]acetic acid
CID 119242624
2-(3-fluoro-4-methoxyphenyl)-N-(3-methoxypropyl)acetamide
CID 110766984
2-(3-fluoro-4-methoxyphenyl)-N-[2-(2-hydroxyethoxy)ethyl]acetamide
CID 60682387
N-[2-[(5-bromothiophen-2-yl)methylsulfanyl]ethyl]-2-(3-fluoro-4-methoxyphenyl)acetamide
CID 18278621
5-chloro-N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-methoxybenzamide
CID 103767358
N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-naphthalen-2-ylacetamide
CID 103767492
N-[(3,4-dimethoxyphenyl)methyl]-2-(3-fluoro-4-methoxyphenyl)acetamide
CID 9269129
N-(2,2-difluoro-3-hydroxypropyl)-2-(3-fluoro-4-methoxyphenyl)acetamide
CID 104858213
2-(4-aminophenyl)-N-[2-(3-hydroxypropylsulfanyl)ethyl]acetamide
CID 106308475
N-[(4-chlorophenyl)methyl]-2-(3-fluoro-4-methoxyphenyl)acetamide
CID 9042461
[2-(2-methoxyethylamino)-2-oxoethyl] 2-(3-fluoro-4-methoxyphenyl)acetate
CID 8667128
1-(3-fluoro-4-methoxyphenyl)-2-(3-hydroxypropylsulfanyl)ethanone
CID 66128941

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-methoxyphenyl)-N-[2-(3-hydroxypropylsulfanyl)ethyl]acetamide?
The IUPAC name of 2-(3-fluoro-4-methoxyphenyl)-N-[2-(3-hydroxypropylsulfanyl)ethyl]acetamide (CID 103800898) is 2-(3-fluoro-4-methoxyphenyl)-N-[2-(3-hydroxypropylsulfanyl)ethyl]acetamide.
What is the SMILES notation for 2-(3-fluoro-4-methoxyphenyl)-N-[2-(3-hydroxypropylsulfanyl)ethyl]acetamide?
The canonical SMILES for 2-(3-fluoro-4-methoxyphenyl)-N-[2-(3-hydroxypropylsulfanyl)ethyl]acetamide is COc1ccc(CC(=O)NCCSCCCO)cc1F.
What is the InChIKey of 2-(3-fluoro-4-methoxyphenyl)-N-[2-(3-hydroxypropylsulfanyl)ethyl]acetamide?
The InChIKey is IRIBZIDAENUYCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO3S/c1-19-13-4-3-11(9-12(13)15)10-14(18)16-5-8-20-7-2-6-17/h3-4,9,17H,2,5-8,10H2,1H3,(H,16,18).
What are the key properties of 2-(3-fluoro-4-methoxyphenyl)-N-[2-(3-hydroxypropylsulfanyl)ethyl]acetamide?
2-(3-fluoro-4-methoxyphenyl)-N-[2-(3-hydroxypropylsulfanyl)ethyl]acetamide has a molecular weight of 301.38 g/mol, XLogP of 1.61, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-methoxyphenyl)-N-[2-(3-hydroxypropylsulfanyl)ethyl]acetamide is sourced from PubChem (CID 103800898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).