2-(2-amino-4-fluorophenyl)sulfanyl-N,N-dimethylpropanamide

C11H15FN2OS — CID 43304318

IUPAC2-(2-amino-4-fluorophenyl)sulfanyl-N,N-dimethylpropanamide
SMILESCC(Sc1ccc(F)cc1N)C(=O)N(C)C
InChIInChI=1S/C11H15FN2OS/c1-7(11(15)14(2)3)16-10-5-4-8(12)6-9(10)13/h4-7H,13H2,1-3H3
InChIKeyFURVGPHWAXUDFA-UHFFFAOYSA-N
MW242.32 g/mol
LogP1.98
Rot. Bonds3

About 2-(2-amino-4-fluorophenyl)sulfanyl-N,N-dimethylpropanamide

2-(2-amino-4-fluorophenyl)sulfanyl-N,N-dimethylpropanamide (PubChem CID 43304318) has the molecular formula C11H15FN2OS and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-(2-amino-4-fluorophenyl)sulfanyl-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-(2-amino-4-fluorophenyl)sulfanyl-N,N-dimethylpropanamide
PubChem CID43304318
Molecular FormulaC11H15FN2OS
Molecular Weight242.32 g/mol
Exact Mass242.09
IUPAC Name2-(2-amino-4-fluorophenyl)sulfanyl-N,N-dimethylpropanamide
SMILESCC(Sc1ccc(F)cc1N)C(=O)N(C)C
InChIInChI=1S/C11H15FN2OS/c1-7(11(15)14(2)3)16-10-5-4-8(12)6-9(10)13/h4-7H,13H2,1-3H3
InChIKeyFURVGPHWAXUDFA-UHFFFAOYSA-N
XLogP1.98
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-amino-4-bromophenyl)sulfanyl-N,N-dimethylpropanamide
CID 43306070
2-(2-amino-4-fluorophenyl)sulfanyl-N-methylpropanamide
CID 43304297
2-(2-amino-4-fluorophenyl)sulfanyl-1-(azepan-1-yl)propan-1-one
CID 43304287
2-(2-amino-4-fluoroanilino)-N,N-dimethylpropanamide
CID 61464114
(2S)-2-(2,4-difluorophenyl)sulfanylpropanamide
CID 9046479
N-(4-aminophenyl)-2-(2,4-difluorophenyl)sulfanylpropanamide
CID 43345467
(2R)-2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]-N,N-dimethylpropanamide
CID 95601576
2-[2-amino-4-(trifluoromethyl)phenyl]sulfanylpropanamide
CID 43134935
2-(2,5-difluorophenyl)sulfanylpropanoic acid
CID 16772336
2-(2-amino-5-fluorophenyl)sulfanyl-1-pyrrolidin-1-ylpropan-1-one
CID 79144117
2-amino-5-fluoro-N,N-dimethylbenzamide;hydrochloride
CID 75414598
1-(2-amino-4-fluorophenyl)-N,N-dimethylpyrazole-3-carboxamide
CID 64782079

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-fluorophenyl)sulfanyl-N,N-dimethylpropanamide?
The IUPAC name of 2-(2-amino-4-fluorophenyl)sulfanyl-N,N-dimethylpropanamide (CID 43304318) is 2-(2-amino-4-fluorophenyl)sulfanyl-N,N-dimethylpropanamide.
What is the SMILES notation for 2-(2-amino-4-fluorophenyl)sulfanyl-N,N-dimethylpropanamide?
The canonical SMILES for 2-(2-amino-4-fluorophenyl)sulfanyl-N,N-dimethylpropanamide is CC(Sc1ccc(F)cc1N)C(=O)N(C)C.
What is the InChIKey of 2-(2-amino-4-fluorophenyl)sulfanyl-N,N-dimethylpropanamide?
The InChIKey is FURVGPHWAXUDFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2OS/c1-7(11(15)14(2)3)16-10-5-4-8(12)6-9(10)13/h4-7H,13H2,1-3H3.
What are the key properties of 2-(2-amino-4-fluorophenyl)sulfanyl-N,N-dimethylpropanamide?
2-(2-amino-4-fluorophenyl)sulfanyl-N,N-dimethylpropanamide has a molecular weight of 242.32 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-fluorophenyl)sulfanyl-N,N-dimethylpropanamide is sourced from PubChem (CID 43304318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).