N-(3-aminophenyl)-2-(2,4-difluorophenyl)sulfanylpropanamide

C15H14F2N2OS — CID 43345469

IUPACN-(3-aminophenyl)-2-(2,4-difluorophenyl)sulfanylpropanamide
SMILESCC(Sc1ccc(F)cc1F)C(=O)Nc1cccc(N)c1
InChIInChI=1S/C15H14F2N2OS/c1-9(21-14-6-5-10(16)7-13(14)17)15(20)19-12-4-2-3-11(18)8-12/h2-9H,18H2,1H3,(H,19,20)
InChIKeyJGYWDDZHFLHDFL-UHFFFAOYSA-N
MW308.35 g/mol
LogP3.67
Rot. Bonds4

About N-(3-aminophenyl)-2-(2,4-difluorophenyl)sulfanylpropanamide

N-(3-aminophenyl)-2-(2,4-difluorophenyl)sulfanylpropanamide (PubChem CID 43345469) has the molecular formula C15H14F2N2OS and a molecular weight of 308.35 g/mol. Its IUPAC name is N-(3-aminophenyl)-2-(2,4-difluorophenyl)sulfanylpropanamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-2-(2,4-difluorophenyl)sulfanylpropanamide
PubChem CID43345469
Molecular FormulaC15H14F2N2OS
Molecular Weight308.35 g/mol
Exact Mass308.08
IUPAC NameN-(3-aminophenyl)-2-(2,4-difluorophenyl)sulfanylpropanamide
SMILESCC(Sc1ccc(F)cc1F)C(=O)Nc1cccc(N)c1
InChIInChI=1S/C15H14F2N2OS/c1-9(21-14-6-5-10(16)7-13(14)17)15(20)19-12-4-2-3-11(18)8-12/h2-9H,18H2,1H3,(H,19,20)
InChIKeyJGYWDDZHFLHDFL-UHFFFAOYSA-N
XLogP3.67
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.35
LogP ≤ 53.67
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

(2S)-2-(2,4-difluorophenyl)sulfanyl-N-(3-fluorophenyl)propanamide
CID 8975115
N-(4-aminophenyl)-2-(2,4-difluorophenyl)sulfanylpropanamide
CID 43345467
4-[[(2R)-2-(2,4-difluorophenyl)sulfanylpropanoyl]amino]benzamide
CID 9046418
(2S)-2-(2,4-difluorophenyl)sulfanyl-N-[3-(dimethylsulfamoyl)phenyl]propanamide
CID 9046565
2-(2,4-difluorophenyl)sulfanyl-N-(9,10-dioxoanthracen-2-yl)propanamide
CID 60597843
(2R)-N-(2,4-difluorophenyl)-2-(2,4-difluorophenyl)sulfanylpropanamide
CID 8975147
N-(2,3-dichlorophenyl)-2-(2,4-difluorophenyl)sulfanylpropanamide
CID 55387332
(2R)-2-(2,4-difluorophenyl)sulfanyl-N-(2-methoxyphenyl)propanamide
CID 9046467
(2S)-2-(2-fluorophenyl)sulfanyl-N-(3-methoxyphenyl)propanamide
CID 9034173
(2S)-2-(2,4-difluorophenyl)sulfanylpropanamide
CID 9046479
2-amino-N-(3-aminophenyl)propanamide
CID 110478892
2-(3-aminophenyl)-N-(3-fluorophenyl)propanamide
CID 106590704

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-2-(2,4-difluorophenyl)sulfanylpropanamide?
The IUPAC name of N-(3-aminophenyl)-2-(2,4-difluorophenyl)sulfanylpropanamide (CID 43345469) is N-(3-aminophenyl)-2-(2,4-difluorophenyl)sulfanylpropanamide.
What is the SMILES notation for N-(3-aminophenyl)-2-(2,4-difluorophenyl)sulfanylpropanamide?
The canonical SMILES for N-(3-aminophenyl)-2-(2,4-difluorophenyl)sulfanylpropanamide is CC(Sc1ccc(F)cc1F)C(=O)Nc1cccc(N)c1.
What is the InChIKey of N-(3-aminophenyl)-2-(2,4-difluorophenyl)sulfanylpropanamide?
The InChIKey is JGYWDDZHFLHDFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N2OS/c1-9(21-14-6-5-10(16)7-13(14)17)15(20)19-12-4-2-3-11(18)8-12/h2-9H,18H2,1H3,(H,19,20).
What are the key properties of N-(3-aminophenyl)-2-(2,4-difluorophenyl)sulfanylpropanamide?
N-(3-aminophenyl)-2-(2,4-difluorophenyl)sulfanylpropanamide has a molecular weight of 308.35 g/mol, XLogP of 3.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)-2-(2,4-difluorophenyl)sulfanylpropanamide is sourced from PubChem (CID 43345469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).