N-(5-amino-2-fluorophenyl)-2-benzylsulfanylpropanamide

C16H17FN2OS — CID 43098969

IUPACN-(5-amino-2-fluorophenyl)-2-benzylsulfanylpropanamide
SMILESCC(SCc1ccccc1)C(=O)Nc1cc(N)ccc1F
InChIInChI=1S/C16H17FN2OS/c1-11(21-10-12-5-3-2-4-6-12)16(20)19-15-9-13(18)7-8-14(15)17/h2-9,11H,10,18H2,1H3,(H,19,20)
InChIKeyXWYMQFOIGZTHMA-UHFFFAOYSA-N
MW304.39 g/mol
LogP3.67
Rot. Bonds5

About N-(5-amino-2-fluorophenyl)-2-benzylsulfanylpropanamide

N-(5-amino-2-fluorophenyl)-2-benzylsulfanylpropanamide (PubChem CID 43098969) has the molecular formula C16H17FN2OS and a molecular weight of 304.39 g/mol. Its IUPAC name is N-(5-amino-2-fluorophenyl)-2-benzylsulfanylpropanamide.

Molecular Properties

Compound NameN-(5-amino-2-fluorophenyl)-2-benzylsulfanylpropanamide
PubChem CID43098969
Molecular FormulaC16H17FN2OS
Molecular Weight304.39 g/mol
Exact Mass304.10
IUPAC NameN-(5-amino-2-fluorophenyl)-2-benzylsulfanylpropanamide
SMILESCC(SCc1ccccc1)C(=O)Nc1cc(N)ccc1F
InChIInChI=1S/C16H17FN2OS/c1-11(21-10-12-5-3-2-4-6-12)16(20)19-15-9-13(18)7-8-14(15)17/h2-9,11H,10,18H2,1H3,(H,19,20)
InChIKeyXWYMQFOIGZTHMA-UHFFFAOYSA-N
XLogP3.67
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(5-amino-2-fluorophenyl)-2-benzylsulfanylpropanamide 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-(5-amino-2-methylphenyl)-2-benzylsulfanylpropanamide
CID 43187440
N-(5-amino-2-fluorophenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylpropanamide
CID 66105977
N-(5-amino-2-fluorophenyl)-2-methylsulfanylpropanamide
CID 61024784
(2R)-2-benzylsulfanyl-N-(2-chloro-4-fluorophenyl)propanamide
CID 7377182
N-(5-amino-2-fluorophenyl)-2-(2-methoxyethylsulfanyl)propanamide
CID 43382522
N-(5-amino-2-fluorophenyl)-2-(2,3-dihydroxypropylsulfanyl)propanamide
CID 79682042
2-benzylsulfanyl-N-(2-propan-2-ylphenyl)propanamide
CID 2943119
2-[[(2R)-2-benzylsulfanylpropanoyl]amino]benzoic acid
CID 9349511
N-(5-amino-2-fluorophenyl)-2-(3-methylphenyl)sulfanylpropanamide
CID 61242685
(2R)-2-benzylsulfanylpropanehydrazide
CID 28840047
2-[(4-chlorophenyl)methylsulfanyl]-N-(2,4-dichlorophenyl)propanamide
CID 18269483
N-(5-amino-2-methylphenyl)-2-(2-fluorophenyl)sulfanylpropanamide
CID 43109464

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-fluorophenyl)-2-benzylsulfanylpropanamide?
The IUPAC name of N-(5-amino-2-fluorophenyl)-2-benzylsulfanylpropanamide (CID 43098969) is N-(5-amino-2-fluorophenyl)-2-benzylsulfanylpropanamide.
What is the SMILES notation for N-(5-amino-2-fluorophenyl)-2-benzylsulfanylpropanamide?
The canonical SMILES for N-(5-amino-2-fluorophenyl)-2-benzylsulfanylpropanamide is CC(SCc1ccccc1)C(=O)Nc1cc(N)ccc1F.
What is the InChIKey of N-(5-amino-2-fluorophenyl)-2-benzylsulfanylpropanamide?
The InChIKey is XWYMQFOIGZTHMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2OS/c1-11(21-10-12-5-3-2-4-6-12)16(20)19-15-9-13(18)7-8-14(15)17/h2-9,11H,10,18H2,1H3,(H,19,20).
What are the key properties of N-(5-amino-2-fluorophenyl)-2-benzylsulfanylpropanamide?
N-(5-amino-2-fluorophenyl)-2-benzylsulfanylpropanamide has a molecular weight of 304.39 g/mol, XLogP of 3.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-fluorophenyl)-2-benzylsulfanylpropanamide is sourced from PubChem (CID 43098969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).