N-[(3-fluoro-4-methylphenyl)methyl]-2-(1-hydroxypropan-2-ylsulfanyl)acetamide

C13H18FNO2S — CID 112695391

IUPACN-[(3-fluoro-4-methylphenyl)methyl]-2-(1-hydroxypropan-2-ylsulfanyl)acetamide
SMILESCc1ccc(CNC(=O)CSC(C)CO)cc1F
InChIInChI=1S/C13H18FNO2S/c1-9-3-4-11(5-12(9)14)6-15-13(17)8-18-10(2)7-16/h3-5,10,16H,6-8H2,1-2H3,(H,15,17)
InChIKeyJEAWESVUOQZTSI-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.86
Rot. Bonds6

About N-[(3-fluoro-4-methylphenyl)methyl]-2-(1-hydroxypropan-2-ylsulfanyl)acetamide

N-[(3-fluoro-4-methylphenyl)methyl]-2-(1-hydroxypropan-2-ylsulfanyl)acetamide (PubChem CID 112695391) has the molecular formula C13H18FNO2S and a molecular weight of 271.36 g/mol. Its IUPAC name is N-[(3-fluoro-4-methylphenyl)methyl]-2-(1-hydroxypropan-2-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-[(3-fluoro-4-methylphenyl)methyl]-2-(1-hydroxypropan-2-ylsulfanyl)acetamide
PubChem CID112695391
Molecular FormulaC13H18FNO2S
Molecular Weight271.36 g/mol
Exact Mass271.10
IUPAC NameN-[(3-fluoro-4-methylphenyl)methyl]-2-(1-hydroxypropan-2-ylsulfanyl)acetamide
SMILESCc1ccc(CNC(=O)CSC(C)CO)cc1F
InChIInChI=1S/C13H18FNO2S/c1-9-3-4-11(5-12(9)14)6-15-13(17)8-18-10(2)7-16/h3-5,10,16H,6-8H2,1-2H3,(H,15,17)
InChIKeyJEAWESVUOQZTSI-UHFFFAOYSA-N
XLogP1.86
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(3-fluoro-4-methylphenyl)methyl]-2-(1-hydroxypropan-2-ylsulfanyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-fluoro-3-methylphenyl)methyl]-2-(1-hydroxypropan-2-ylsulfanyl)acetamide
CID 112695416
2-(1-aminopropan-2-ylsulfanyl)-N-[(4-fluoro-3-methylphenyl)methyl]acetamide
CID 66218348
N-[(3-fluoro-4-methylphenyl)methyl]-2-(2-hydroxyethylsulfanyl)acetamide
CID 43394169
2-[[2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl]amino]propanoic acid
CID 43467079
1-[(3-fluoro-4-methylphenyl)methyl]-3-(1-hydroxy-4-methylpentan-2-yl)urea
CID 111424633
N-[(3-fluoro-4-methylphenyl)methyl]-2-(methylamino)acetamide
CID 43388450
1-[(3-fluoro-4-methylphenyl)methyl]-3-(4-hydroxy-3-methylbutan-2-yl)urea
CID 111444613
2-[(3-fluoro-4-methylphenyl)methylcarbamoylamino]-N-propan-2-ylacetamide
CID 17417817
3-(ethylamino)-N-[(3-fluoro-4-methylphenyl)methyl]propanamide
CID 62833982
N-[(3-fluoro-4-methylphenyl)methyl]-2-(prop-2-enylamino)acetamide
CID 112722669
N-[(3-fluoro-4-methylphenyl)methyl]-2-(2-methoxyethylamino)acetamide
CID 112722635
N-[(3-fluoro-4-methylphenyl)methyl]-2-[3-hydroxybutyl(methyl)amino]acetamide
CID 111488603

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-methylphenyl)methyl]-2-(1-hydroxypropan-2-ylsulfanyl)acetamide?
The IUPAC name of N-[(3-fluoro-4-methylphenyl)methyl]-2-(1-hydroxypropan-2-ylsulfanyl)acetamide (CID 112695391) is N-[(3-fluoro-4-methylphenyl)methyl]-2-(1-hydroxypropan-2-ylsulfanyl)acetamide.
What is the SMILES notation for N-[(3-fluoro-4-methylphenyl)methyl]-2-(1-hydroxypropan-2-ylsulfanyl)acetamide?
The canonical SMILES for N-[(3-fluoro-4-methylphenyl)methyl]-2-(1-hydroxypropan-2-ylsulfanyl)acetamide is Cc1ccc(CNC(=O)CSC(C)CO)cc1F.
What is the InChIKey of N-[(3-fluoro-4-methylphenyl)methyl]-2-(1-hydroxypropan-2-ylsulfanyl)acetamide?
The InChIKey is JEAWESVUOQZTSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2S/c1-9-3-4-11(5-12(9)14)6-15-13(17)8-18-10(2)7-16/h3-5,10,16H,6-8H2,1-2H3,(H,15,17).
What are the key properties of N-[(3-fluoro-4-methylphenyl)methyl]-2-(1-hydroxypropan-2-ylsulfanyl)acetamide?
N-[(3-fluoro-4-methylphenyl)methyl]-2-(1-hydroxypropan-2-ylsulfanyl)acetamide has a molecular weight of 271.36 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-methylphenyl)methyl]-2-(1-hydroxypropan-2-ylsulfanyl)acetamide is sourced from PubChem (CID 112695391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).