N-(3-fluoro-4-hydroxyphenyl)-2-methylsulfanylacetamide

C9H10FNO2S — CID 64780305

IUPACN-(3-fluoro-4-hydroxyphenyl)-2-methylsulfanylacetamide
SMILESCSCC(=O)Nc1ccc(O)c(F)c1
InChIInChI=1S/C9H10FNO2S/c1-14-5-9(13)11-6-2-3-8(12)7(10)4-6/h2-4,12H,5H2,1H3,(H,11,13)
InChIKeyNEGQZDORHBVYJX-UHFFFAOYSA-N
MW215.25 g/mol
LogP1.83
Rot. Bonds3

About N-(3-fluoro-4-hydroxyphenyl)-2-methylsulfanylacetamide

N-(3-fluoro-4-hydroxyphenyl)-2-methylsulfanylacetamide (PubChem CID 64780305) has the molecular formula C9H10FNO2S and a molecular weight of 215.25 g/mol. Its IUPAC name is N-(3-fluoro-4-hydroxyphenyl)-2-methylsulfanylacetamide.

Molecular Properties

Compound NameN-(3-fluoro-4-hydroxyphenyl)-2-methylsulfanylacetamide
PubChem CID64780305
Molecular FormulaC9H10FNO2S
Molecular Weight215.25 g/mol
Exact Mass215.04
IUPAC NameN-(3-fluoro-4-hydroxyphenyl)-2-methylsulfanylacetamide
SMILESCSCC(=O)Nc1ccc(O)c(F)c1
InChIInChI=1S/C9H10FNO2S/c1-14-5-9(13)11-6-2-3-8(12)7(10)4-6/h2-4,12H,5H2,1H3,(H,11,13)
InChIKeyNEGQZDORHBVYJX-UHFFFAOYSA-N
XLogP1.83
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-fluoro-4-[(2-methylsulfanylacetyl)amino]phenyl]acetic acid
CID 122110095
3-(3-fluoro-4-hydroxyanilino)-3-oxopropanoic acid
CID 64782793
N-(3-fluoro-4-hydroxyphenyl)acetamide
CID 3014069
N-(3-fluoro-4-hydroxyphenyl)-2-(prop-2-ynylamino)acetamide
CID 79271448
N-(3-fluoro-4-hydroxyphenyl)-2-(4-hydroxyphenyl)acetamide
CID 64782942
N-(3-fluoro-4-hydroxyphenyl)-3-methylpentanamide
CID 114875158
N-(3-fluoro-4-hydroxyphenyl)decanamide
CID 65426538
N-(3-fluoro-4-hydroxyphenyl)-3-(propan-2-ylamino)propanamide
CID 64782585
3-ethoxy-N-(3-fluoro-4-hydroxyphenyl)propanamide
CID 64780505
N-(3-fluoro-4-hydroxyphenyl)-2-(prop-2-enylamino)acetamide
CID 79278789
methyl N-(3-fluoro-4-hydroxyphenyl)carbamate
CID 64780328
1-ethyl-3-(3-fluoro-4-hydroxyphenyl)urea
CID 64781275

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-hydroxyphenyl)-2-methylsulfanylacetamide?
The IUPAC name of N-(3-fluoro-4-hydroxyphenyl)-2-methylsulfanylacetamide (CID 64780305) is N-(3-fluoro-4-hydroxyphenyl)-2-methylsulfanylacetamide.
What is the SMILES notation for N-(3-fluoro-4-hydroxyphenyl)-2-methylsulfanylacetamide?
The canonical SMILES for N-(3-fluoro-4-hydroxyphenyl)-2-methylsulfanylacetamide is CSCC(=O)Nc1ccc(O)c(F)c1.
What is the InChIKey of N-(3-fluoro-4-hydroxyphenyl)-2-methylsulfanylacetamide?
The InChIKey is NEGQZDORHBVYJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO2S/c1-14-5-9(13)11-6-2-3-8(12)7(10)4-6/h2-4,12H,5H2,1H3,(H,11,13).
What are the key properties of N-(3-fluoro-4-hydroxyphenyl)-2-methylsulfanylacetamide?
N-(3-fluoro-4-hydroxyphenyl)-2-methylsulfanylacetamide has a molecular weight of 215.25 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-hydroxyphenyl)-2-methylsulfanylacetamide is sourced from PubChem (CID 64780305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).