2-(2-amino-4-fluorophenyl)sulfanyl-N-methylpropanamide

C10H13FN2OS — CID 43304297

IUPAC2-(2-amino-4-fluorophenyl)sulfanyl-N-methylpropanamide
SMILESCNC(=O)C(C)Sc1ccc(F)cc1N
InChIInChI=1S/C10H13FN2OS/c1-6(10(14)13-2)15-9-4-3-7(11)5-8(9)12/h3-6H,12H2,1-2H3,(H,13,14)
InChIKeyNIZVGGYYJNQHBV-UHFFFAOYSA-N
MW228.29 g/mol
LogP1.63
Rot. Bonds3

About 2-(2-amino-4-fluorophenyl)sulfanyl-N-methylpropanamide

2-(2-amino-4-fluorophenyl)sulfanyl-N-methylpropanamide (PubChem CID 43304297) has the molecular formula C10H13FN2OS and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-(2-amino-4-fluorophenyl)sulfanyl-N-methylpropanamide.

Molecular Properties

Compound Name2-(2-amino-4-fluorophenyl)sulfanyl-N-methylpropanamide
PubChem CID43304297
Molecular FormulaC10H13FN2OS
Molecular Weight228.29 g/mol
Exact Mass228.07
IUPAC Name2-(2-amino-4-fluorophenyl)sulfanyl-N-methylpropanamide
SMILESCNC(=O)C(C)Sc1ccc(F)cc1N
InChIInChI=1S/C10H13FN2OS/c1-6(10(14)13-2)15-9-4-3-7(11)5-8(9)12/h3-6H,12H2,1-2H3,(H,13,14)
InChIKeyNIZVGGYYJNQHBV-UHFFFAOYSA-N
XLogP1.63
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2-amino-4-fluorophenyl)sulfanyl-N-methylpropanamide 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-amino-4-fluorophenyl)sulfanyl-N,N-dimethylpropanamide
CID 43304318
N-(4-aminophenyl)-2-(2,4-difluorophenyl)sulfanylpropanamide
CID 43345467
2-(4-amino-3-fluorophenyl)sulfanyl-N-methylpropanamide
CID 79141392
2-(2-amino-4-fluorophenyl)sulfanyl-1-(azepan-1-yl)propan-1-one
CID 43304287
2-(4-amino-2,6-difluorophenyl)sulfanyl-N-methylpropanamide
CID 61360046
N-(3-aminophenyl)-2-(2,4-difluorophenyl)sulfanylpropanamide
CID 43345469
2-(2-amino-4-fluorophenyl)sulfonyl-N-methylpropanamide
CID 81184526
2-(2-amino-5-fluorophenyl)sulfanyl-N-cyclohexylpropanamide
CID 79148883
4-[[(2R)-2-(2,4-difluorophenyl)sulfanylpropanoyl]amino]benzamide
CID 9046418
N-(2-amino-4-fluorophenyl)-2-(4-chlorophenyl)sulfanylpropanamide
CID 43102247
(2S)-2-(2,4-difluorophenyl)sulfanyl-N-(3-fluorophenyl)propanamide
CID 8975115
2-(4-amino-2-fluorophenyl)sulfanyl-N-(methylcarbamoyl)propanamide
CID 43303759

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-fluorophenyl)sulfanyl-N-methylpropanamide?
The IUPAC name of 2-(2-amino-4-fluorophenyl)sulfanyl-N-methylpropanamide (CID 43304297) is 2-(2-amino-4-fluorophenyl)sulfanyl-N-methylpropanamide.
What is the SMILES notation for 2-(2-amino-4-fluorophenyl)sulfanyl-N-methylpropanamide?
The canonical SMILES for 2-(2-amino-4-fluorophenyl)sulfanyl-N-methylpropanamide is CNC(=O)C(C)Sc1ccc(F)cc1N.
What is the InChIKey of 2-(2-amino-4-fluorophenyl)sulfanyl-N-methylpropanamide?
The InChIKey is NIZVGGYYJNQHBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2OS/c1-6(10(14)13-2)15-9-4-3-7(11)5-8(9)12/h3-6H,12H2,1-2H3,(H,13,14).
What are the key properties of 2-(2-amino-4-fluorophenyl)sulfanyl-N-methylpropanamide?
2-(2-amino-4-fluorophenyl)sulfanyl-N-methylpropanamide has a molecular weight of 228.29 g/mol, XLogP of 1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-fluorophenyl)sulfanyl-N-methylpropanamide is sourced from PubChem (CID 43304297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).