2-(4-amino-3-fluorophenyl)sulfanyl-N-methylpropanamide

C10H13FN2OS — CID 79141392

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

About 2-(4-amino-3-fluorophenyl)sulfanyl-N-methylpropanamide

2-(4-amino-3-fluorophenyl)sulfanyl-N-methylpropanamide (PubChem CID 79141392) has the molecular formula C10H13FN2OS and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-(4-amino-3-fluorophenyl)sulfanyl-N-methylpropanamide.

Molecular Properties

Compound Name2-(4-amino-3-fluorophenyl)sulfanyl-N-methylpropanamide
PubChem CID79141392
Molecular FormulaC10H13FN2OS
Molecular Weight228.29 g/mol
Exact Mass228.07
IUPAC Name2-(4-amino-3-fluorophenyl)sulfanyl-N-methylpropanamide
SMILESCNC(=O)C(C)Sc1ccc(N)c(F)c1
InChIInChI=1S/C10H13FN2OS/c1-6(10(14)13-2)15-7-3-4-9(12)8(11)5-7/h3-6H,12H2,1-2H3,(H,13,14)
InChIKeyMYKJGKZHFCPBNZ-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'}

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Related Compounds

2-(4-amino-3-fluorophenyl)sulfanyl-N-(3-methylbutyl)propanamide
CID 79140731
2-(4-amino-3-fluorophenyl)sulfanyl-N-cyclopentylpropanamide
CID 79141100
2-(2-amino-4-fluorophenyl)sulfanyl-N-methylpropanamide
CID 43304297
2-(4-amino-2,6-difluorophenyl)sulfanyl-N-methylpropanamide
CID 61360046
N-(3,4-difluorophenyl)-2-(3,4-difluorophenyl)sulfanylpropanamide
CID 24500478
(2S)-N-(4-acetamidophenyl)-2-(3,4-difluorophenyl)sulfanylpropanamide
CID 9055622
2-(3,4-difluorophenyl)sulfanyl-N-phenylpropanamide
CID 47114263
N-(3-amino-4-fluorophenyl)-2-(4-methylphenyl)sulfanylpropanamide
CID 43093514
4-amino-3-fluoro-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide
CID 62680619
(2R)-2-(4-methoxyphenyl)sulfanyl-N-methylpropanamide
CID 30378344
(2R)-2-(3,4-difluorophenyl)sulfanyl-N-(4-sulfamoylphenyl)propanamide
CID 7737171
2-(4-amino-3-fluorophenyl)sulfanyl-N-(methylcarbamoyl)acetamide
CID 79140915

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3-fluorophenyl)sulfanyl-N-methylpropanamide?
The IUPAC name of 2-(4-amino-3-fluorophenyl)sulfanyl-N-methylpropanamide (CID 79141392) is 2-(4-amino-3-fluorophenyl)sulfanyl-N-methylpropanamide.
What is the SMILES notation for 2-(4-amino-3-fluorophenyl)sulfanyl-N-methylpropanamide?
The canonical SMILES for 2-(4-amino-3-fluorophenyl)sulfanyl-N-methylpropanamide is CNC(=O)C(C)Sc1ccc(N)c(F)c1.
What is the InChIKey of 2-(4-amino-3-fluorophenyl)sulfanyl-N-methylpropanamide?
The InChIKey is MYKJGKZHFCPBNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2OS/c1-6(10(14)13-2)15-7-3-4-9(12)8(11)5-7/h3-6H,12H2,1-2H3,(H,13,14).
What are the key properties of 2-(4-amino-3-fluorophenyl)sulfanyl-N-methylpropanamide?
2-(4-amino-3-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-(4-amino-3-fluorophenyl)sulfanyl-N-methylpropanamide is sourced from PubChem (CID 79141392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).