2-(3-aminobutylsulfanyl)-N-(2,6-difluorophenyl)acetamide

C12H16F2N2OS — CID 66232808

IUPAC2-(3-aminobutylsulfanyl)-N-(2,6-difluorophenyl)acetamide
SMILESCC(N)CCSCC(=O)Nc1c(F)cccc1F
InChIInChI=1S/C12H16F2N2OS/c1-8(15)5-6-18-7-11(17)16-12-9(13)3-2-4-10(12)14/h2-4,8H,5-7,15H2,1H3,(H,16,17)
InChIKeyGIULTYRSROXGGU-UHFFFAOYSA-N
MW274.34 g/mol
LogP2.37
Rot. Bonds6

About 2-(3-aminobutylsulfanyl)-N-(2,6-difluorophenyl)acetamide

2-(3-aminobutylsulfanyl)-N-(2,6-difluorophenyl)acetamide (PubChem CID 66232808) has the molecular formula C12H16F2N2OS and a molecular weight of 274.34 g/mol. Its IUPAC name is 2-(3-aminobutylsulfanyl)-N-(2,6-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-(3-aminobutylsulfanyl)-N-(2,6-difluorophenyl)acetamide
PubChem CID66232808
Molecular FormulaC12H16F2N2OS
Molecular Weight274.34 g/mol
Exact Mass274.10
IUPAC Name2-(3-aminobutylsulfanyl)-N-(2,6-difluorophenyl)acetamide
SMILESCC(N)CCSCC(=O)Nc1c(F)cccc1F
InChIInChI=1S/C12H16F2N2OS/c1-8(15)5-6-18-7-11(17)16-12-9(13)3-2-4-10(12)14/h2-4,8H,5-7,15H2,1H3,(H,16,17)
InChIKeyGIULTYRSROXGGU-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

Computed Properties (RDKit)

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

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Related Compounds

2-(3-aminopropylsulfanyl)-N-(2,6-difluorophenyl)acetamide
CID 66217561
2-(3-aminobutylsulfanyl)-N-(3-iodophenyl)acetamide
CID 66233279
2-(3-aminobutylsulfanyl)-N-(2-methylphenyl)acetamide
CID 66231676
2-(3-aminobutylsulfanyl)-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 66232131
3-(3-aminobutylsulfanyl)-N-(2-fluorophenyl)propanamide
CID 66234179
2-(3-aminobutylsulfanyl)-N-(4-propylphenyl)acetamide
CID 66233973
N-(2,6-difluorophenyl)-2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]acetamide
CID 8928675
N-(2,6-difluorophenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide
CID 7985076
N-(2,6-difluorophenyl)-2-(4-fluorophenyl)sulfanylacetamide
CID 7284421
2-amino-N-(2,6-difluorophenyl)propanamide
CID 43087644
N-(2,6-difluorophenyl)-3-(3-methylbutylamino)propanamide
CID 109032108
N-(2,6-difluorophenyl)-2-(2,3,5,6-tetramethylphenyl)sulfanylacetamide
CID 7468628

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminobutylsulfanyl)-N-(2,6-difluorophenyl)acetamide?
The IUPAC name of 2-(3-aminobutylsulfanyl)-N-(2,6-difluorophenyl)acetamide (CID 66232808) is 2-(3-aminobutylsulfanyl)-N-(2,6-difluorophenyl)acetamide.
What is the SMILES notation for 2-(3-aminobutylsulfanyl)-N-(2,6-difluorophenyl)acetamide?
The canonical SMILES for 2-(3-aminobutylsulfanyl)-N-(2,6-difluorophenyl)acetamide is CC(N)CCSCC(=O)Nc1c(F)cccc1F.
What is the InChIKey of 2-(3-aminobutylsulfanyl)-N-(2,6-difluorophenyl)acetamide?
The InChIKey is GIULTYRSROXGGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2OS/c1-8(15)5-6-18-7-11(17)16-12-9(13)3-2-4-10(12)14/h2-4,8H,5-7,15H2,1H3,(H,16,17).
What are the key properties of 2-(3-aminobutylsulfanyl)-N-(2,6-difluorophenyl)acetamide?
2-(3-aminobutylsulfanyl)-N-(2,6-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-(3-aminobutylsulfanyl)-N-(2,6-difluorophenyl)acetamide is sourced from PubChem (CID 66232808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).