2-(3-aminopropylsulfanyl)-N-(3,5-difluorophenyl)acetamide

C11H14F2N2OS — CID 66220054

IUPAC2-(3-aminopropylsulfanyl)-N-(3,5-difluorophenyl)acetamide
SMILESNCCCSCC(=O)Nc1cc(F)cc(F)c1
InChIInChI=1S/C11H14F2N2OS/c12-8-4-9(13)6-10(5-8)15-11(16)7-17-3-1-2-14/h4-6H,1-3,7,14H2,(H,15,16)
InChIKeyCINUMPMAQQPCLA-UHFFFAOYSA-N
MW260.31 g/mol
LogP1.99
Rot. Bonds6

About 2-(3-aminopropylsulfanyl)-N-(3,5-difluorophenyl)acetamide

2-(3-aminopropylsulfanyl)-N-(3,5-difluorophenyl)acetamide (PubChem CID 66220054) has the molecular formula C11H14F2N2OS and a molecular weight of 260.31 g/mol. Its IUPAC name is 2-(3-aminopropylsulfanyl)-N-(3,5-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-(3-aminopropylsulfanyl)-N-(3,5-difluorophenyl)acetamide
PubChem CID66220054
Molecular FormulaC11H14F2N2OS
Molecular Weight260.31 g/mol
Exact Mass260.08
IUPAC Name2-(3-aminopropylsulfanyl)-N-(3,5-difluorophenyl)acetamide
SMILESNCCCSCC(=O)Nc1cc(F)cc(F)c1
InChIInChI=1S/C11H14F2N2OS/c12-8-4-9(13)6-10(5-8)15-11(16)7-17-3-1-2-14/h4-6H,1-3,7,14H2,(H,15,16)
InChIKeyCINUMPMAQQPCLA-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'}

Analyze 2-(3-aminopropylsulfanyl)-N-(3,5-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

4-amino-N-(3,5-difluorophenyl)butanamide
CID 24703565
2-(2-aminoethylsulfanyl)-N-(3-fluorophenyl)acetamide
CID 24706980
2-(3-aminopropylsulfanyl)-N-(2,6-difluorophenyl)acetamide
CID 66217561
2-(3-aminopropylsulfanyl)-N-(3-iodophenyl)acetamide
CID 66218573
2-(3-aminopropylsulfanyl)-N-(5-fluoro-2-methylphenyl)acetamide
CID 66216831
4-[[2-(3-aminopropylsulfanyl)acetyl]amino]benzoic acid
CID 82180051
2-(2-aminobutylsulfanyl)-N-(3,5-difluorophenyl)acetamide
CID 66230836
2-(2-aminoethylsulfanyl)-N-[3,5-bis(trifluoromethyl)phenyl]acetamide
CID 84552453
2-[4-[2-(2,4-difluoroanilino)-2-oxoethyl]sulfanylbutylsulfanyl]-N-(2,4-difluorophenyl)acetamide
CID 4215969
2-(4-aminobutylsulfanyl)-N-(4-methoxyphenyl)acetamide
CID 82180185
2-[2-(3-chloro-5-fluoroanilino)-2-oxoethyl]sulfanylacetic acid
CID 107363768
[2-(3,5-difluoroanilino)-2-oxoethyl] carbamimidothioate
CID 65211621

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopropylsulfanyl)-N-(3,5-difluorophenyl)acetamide?
The IUPAC name of 2-(3-aminopropylsulfanyl)-N-(3,5-difluorophenyl)acetamide (CID 66220054) is 2-(3-aminopropylsulfanyl)-N-(3,5-difluorophenyl)acetamide.
What is the SMILES notation for 2-(3-aminopropylsulfanyl)-N-(3,5-difluorophenyl)acetamide?
The canonical SMILES for 2-(3-aminopropylsulfanyl)-N-(3,5-difluorophenyl)acetamide is NCCCSCC(=O)Nc1cc(F)cc(F)c1.
What is the InChIKey of 2-(3-aminopropylsulfanyl)-N-(3,5-difluorophenyl)acetamide?
The InChIKey is CINUMPMAQQPCLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2OS/c12-8-4-9(13)6-10(5-8)15-11(16)7-17-3-1-2-14/h4-6H,1-3,7,14H2,(H,15,16).
What are the key properties of 2-(3-aminopropylsulfanyl)-N-(3,5-difluorophenyl)acetamide?
2-(3-aminopropylsulfanyl)-N-(3,5-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-(3,5-difluorophenyl)acetamide is sourced from PubChem (CID 66220054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).