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

C11H14F2N2OS — CID 66217561

IUPAC2-(3-aminopropylsulfanyl)-N-(2,6-difluorophenyl)acetamide
SMILESNCCCSCC(=O)Nc1c(F)cccc1F
InChIInChI=1S/C11H14F2N2OS/c12-8-3-1-4-9(13)11(8)15-10(16)7-17-6-2-5-14/h1,3-4H,2,5-7,14H2,(H,15,16)
InChIKeyNOYORBFDXVUZNF-UHFFFAOYSA-N
MW260.31 g/mol
LogP1.99
Rot. Bonds6

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

2-(3-aminopropylsulfanyl)-N-(2,6-difluorophenyl)acetamide (PubChem CID 66217561) has the molecular formula C11H14F2N2OS and a molecular weight of 260.31 g/mol. Its IUPAC name is 2-(3-aminopropylsulfanyl)-N-(2,6-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-(3-aminopropylsulfanyl)-N-(2,6-difluorophenyl)acetamide
PubChem CID66217561
Molecular FormulaC11H14F2N2OS
Molecular Weight260.31 g/mol
Exact Mass260.08
IUPAC Name2-(3-aminopropylsulfanyl)-N-(2,6-difluorophenyl)acetamide
SMILESNCCCSCC(=O)Nc1c(F)cccc1F
InChIInChI=1S/C11H14F2N2OS/c12-8-3-1-4-9(13)11(8)15-10(16)7-17-6-2-5-14/h1,3-4H,2,5-7,14H2,(H,15,16)
InChIKeyNOYORBFDXVUZNF-UHFFFAOYSA-N
XLogP1.99
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 51.99
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-aminobutylsulfanyl)-N-(2,6-difluorophenyl)acetamide
CID 66232808
2-(3-aminopropylsulfanyl)-N-(3,5-difluorophenyl)acetamide
CID 66220054
2-(3-aminopropylsulfanyl)-N-(3-iodophenyl)acetamide
CID 66218573
N-(2,6-difluorophenyl)-2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]acetamide
CID 8928675
2-(3-aminopropylsulfanyl)-N-(5-fluoro-2-methylphenyl)acetamide
CID 66216831
N-(2,6-difluorophenyl)-2-phenylsulfanylacetamide
CID 956399
N-(2-fluorophenyl)-2-(3-hydroxypropylsulfanyl)acetamide
CID 60623801
2-(2-aminoethylsulfanyl)-N-(3-fluorophenyl)acetamide
CID 24706980
4-[[2-(3-aminopropylsulfanyl)acetyl]amino]benzoic acid
CID 82180051
N-(2,6-difluorophenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide
CID 7985076
N-(2,6-difluorophenyl)-2-(4-fluorophenyl)sulfanylacetamide
CID 7284421
N-(2,6-difluorophenyl)-2-(2,3,5,6-tetramethylphenyl)sulfanylacetamide
CID 7468628

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopropylsulfanyl)-N-(2,6-difluorophenyl)acetamide?
The IUPAC name of 2-(3-aminopropylsulfanyl)-N-(2,6-difluorophenyl)acetamide (CID 66217561) is 2-(3-aminopropylsulfanyl)-N-(2,6-difluorophenyl)acetamide.
What is the SMILES notation for 2-(3-aminopropylsulfanyl)-N-(2,6-difluorophenyl)acetamide?
The canonical SMILES for 2-(3-aminopropylsulfanyl)-N-(2,6-difluorophenyl)acetamide is NCCCSCC(=O)Nc1c(F)cccc1F.
What is the InChIKey of 2-(3-aminopropylsulfanyl)-N-(2,6-difluorophenyl)acetamide?
The InChIKey is NOYORBFDXVUZNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2OS/c12-8-3-1-4-9(13)11(8)15-10(16)7-17-6-2-5-14/h1,3-4H,2,5-7,14H2,(H,15,16).
What are the key properties of 2-(3-aminopropylsulfanyl)-N-(2,6-difluorophenyl)acetamide?
2-(3-aminopropylsulfanyl)-N-(2,6-difluorophenyl)acetamide has a molecular weight of 260.31 g/mol, XLogP of 1.99, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopropylsulfanyl)-N-(2,6-difluorophenyl)acetamide is sourced from PubChem (CID 66217561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).