2-(4-aminobutan-2-ylsulfanyl)-N-(2,4-difluorophenyl)acetamide

C12H16F2N2OS — CID 66231150

IUPAC2-(4-aminobutan-2-ylsulfanyl)-N-(2,4-difluorophenyl)acetamide
SMILESCC(CCN)SCC(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C12H16F2N2OS/c1-8(4-5-15)18-7-12(17)16-11-3-2-9(13)6-10(11)14/h2-3,6,8H,4-5,7,15H2,1H3,(H,16,17)
InChIKeyBKCYYPUAOOGXNG-UHFFFAOYSA-N
MW274.34 g/mol
LogP2.37
Rot. Bonds6

About 2-(4-aminobutan-2-ylsulfanyl)-N-(2,4-difluorophenyl)acetamide

2-(4-aminobutan-2-ylsulfanyl)-N-(2,4-difluorophenyl)acetamide (PubChem CID 66231150) has the molecular formula C12H16F2N2OS and a molecular weight of 274.34 g/mol. Its IUPAC name is 2-(4-aminobutan-2-ylsulfanyl)-N-(2,4-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-(4-aminobutan-2-ylsulfanyl)-N-(2,4-difluorophenyl)acetamide
PubChem CID66231150
Molecular FormulaC12H16F2N2OS
Molecular Weight274.34 g/mol
Exact Mass274.10
IUPAC Name2-(4-aminobutan-2-ylsulfanyl)-N-(2,4-difluorophenyl)acetamide
SMILESCC(CCN)SCC(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C12H16F2N2OS/c1-8(4-5-15)18-7-12(17)16-11-3-2-9(13)6-10(11)14/h2-3,6,8H,4-5,7,15H2,1H3,(H,16,17)
InChIKeyBKCYYPUAOOGXNG-UHFFFAOYSA-N
XLogP2.37
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(4-aminobutan-2-ylsulfanyl)-N-(2,4-difluorophenyl)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

2-[2-(2,4-difluoroanilino)-2-oxoethyl]sulfanyl-3-methylbutanoic acid
CID 105353461
2-(1-aminopropan-2-ylsulfanyl)-N-(2-fluorophenyl)acetamide
CID 66242283
2-(4-aminobutan-2-ylsulfanyl)-N-(4-ethylphenyl)acetamide
CID 66229760
3-[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]sulfanylbutanoic acid
CID 66138250
2-[2-(2,4-difluoroanilino)-2-oxoethyl]sulfanylacetic acid
CID 2732308
2-[4-[2-(2,4-difluoroanilino)-2-oxoethyl]sulfanylbutylsulfanyl]-N-(2,4-difluorophenyl)acetamide
CID 4215969
4-(2,4-difluoroanilino)-2-methyl-4-oxobutanoic acid
CID 115164947
4-[[2-(4-aminobutan-2-ylsulfanyl)acetyl]amino]benzamide
CID 66228849
4-amino-N-(2,4-difluorophenyl)butanamide;hydrochloride
CID 119262959
1-(1-amino-4,4-dimethylpentan-3-yl)-3-(2,4-difluorophenyl)urea
CID 106357317
N-(2,4-difluorophenyl)hexanamide
CID 3484261
N-(2-amino-4-fluorophenyl)-4-methylpentanamide
CID 28776827

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminobutan-2-ylsulfanyl)-N-(2,4-difluorophenyl)acetamide?
The IUPAC name of 2-(4-aminobutan-2-ylsulfanyl)-N-(2,4-difluorophenyl)acetamide (CID 66231150) is 2-(4-aminobutan-2-ylsulfanyl)-N-(2,4-difluorophenyl)acetamide.
What is the SMILES notation for 2-(4-aminobutan-2-ylsulfanyl)-N-(2,4-difluorophenyl)acetamide?
The canonical SMILES for 2-(4-aminobutan-2-ylsulfanyl)-N-(2,4-difluorophenyl)acetamide is CC(CCN)SCC(=O)Nc1ccc(F)cc1F.
What is the InChIKey of 2-(4-aminobutan-2-ylsulfanyl)-N-(2,4-difluorophenyl)acetamide?
The InChIKey is BKCYYPUAOOGXNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2OS/c1-8(4-5-15)18-7-12(17)16-11-3-2-9(13)6-10(11)14/h2-3,6,8H,4-5,7,15H2,1H3,(H,16,17).
What are the key properties of 2-(4-aminobutan-2-ylsulfanyl)-N-(2,4-difluorophenyl)acetamide?
2-(4-aminobutan-2-ylsulfanyl)-N-(2,4-difluorophenyl)acetamide has a molecular weight of 274.34 g/mol, XLogP of 2.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminobutan-2-ylsulfanyl)-N-(2,4-difluorophenyl)acetamide is sourced from PubChem (CID 66231150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).