2-(4-amino-2,6-difluorophenyl)sulfanyl-N-methylpropanamide

C10H12F2N2OS — CID 61360046

IUPAC2-(4-amino-2,6-difluorophenyl)sulfanyl-N-methylpropanamide
SMILESCNC(=O)C(C)Sc1c(F)cc(N)cc1F
InChIInChI=1S/C10H12F2N2OS/c1-5(10(15)14-2)16-9-7(11)3-6(13)4-8(9)12/h3-5H,13H2,1-2H3,(H,14,15)
InChIKeyLJLIQZCFNZAXLU-UHFFFAOYSA-N
MW246.28 g/mol
LogP1.77
Rot. Bonds3

About 2-(4-amino-2,6-difluorophenyl)sulfanyl-N-methylpropanamide

2-(4-amino-2,6-difluorophenyl)sulfanyl-N-methylpropanamide (PubChem CID 61360046) has the molecular formula C10H12F2N2OS and a molecular weight of 246.28 g/mol. Its IUPAC name is 2-(4-amino-2,6-difluorophenyl)sulfanyl-N-methylpropanamide.

Molecular Properties

Compound Name2-(4-amino-2,6-difluorophenyl)sulfanyl-N-methylpropanamide
PubChem CID61360046
Molecular FormulaC10H12F2N2OS
Molecular Weight246.28 g/mol
Exact Mass246.06
IUPAC Name2-(4-amino-2,6-difluorophenyl)sulfanyl-N-methylpropanamide
SMILESCNC(=O)C(C)Sc1c(F)cc(N)cc1F
InChIInChI=1S/C10H12F2N2OS/c1-5(10(15)14-2)16-9-7(11)3-6(13)4-8(9)12/h3-5H,13H2,1-2H3,(H,14,15)
InChIKeyLJLIQZCFNZAXLU-UHFFFAOYSA-N
XLogP1.77
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 51.77
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-2,6-difluorophenyl)sulfanyl-N-pentan-2-ylpropanamide
CID 61360215
2-(4-amino-3-fluorophenyl)sulfanyl-N-methylpropanamide
CID 79141392
2-(4-amino-2-fluorophenyl)sulfanyl-N-(methylcarbamoyl)propanamide
CID 43303759
2-(2-amino-4-fluorophenyl)sulfanyl-N-methylpropanamide
CID 43304297
2-(4-amino-2-fluorophenyl)sulfanyl-N-(3-methylbutyl)propanamide
CID 43303746
2-(2,6-dichlorophenyl)sulfanyl-N-methylpropanamide
CID 47115195
2-(4-amino-2-fluorophenyl)sulfanylpropanamide
CID 43303751
N-(3-aminophenyl)-2-(2,4-difluorophenyl)sulfanylpropanamide
CID 43345469
2-[(5-amino-3-fluoro-2-methylphenyl)sulfonylamino]-N-methylpropanamide
CID 79896658
N-(4-aminophenyl)-2-(2,4-difluorophenyl)sulfanylpropanamide
CID 43345467
3-(4-amino-2,6-difluorophenyl)sulfanyl-N-propan-2-ylpropanamide
CID 62627895
N-(5-amino-2-methylphenyl)-2-(2-fluorophenyl)sulfanylpropanamide
CID 43109464

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2,6-difluorophenyl)sulfanyl-N-methylpropanamide?
The IUPAC name of 2-(4-amino-2,6-difluorophenyl)sulfanyl-N-methylpropanamide (CID 61360046) is 2-(4-amino-2,6-difluorophenyl)sulfanyl-N-methylpropanamide.
What is the SMILES notation for 2-(4-amino-2,6-difluorophenyl)sulfanyl-N-methylpropanamide?
The canonical SMILES for 2-(4-amino-2,6-difluorophenyl)sulfanyl-N-methylpropanamide is CNC(=O)C(C)Sc1c(F)cc(N)cc1F.
What is the InChIKey of 2-(4-amino-2,6-difluorophenyl)sulfanyl-N-methylpropanamide?
The InChIKey is LJLIQZCFNZAXLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2OS/c1-5(10(15)14-2)16-9-7(11)3-6(13)4-8(9)12/h3-5H,13H2,1-2H3,(H,14,15).
What are the key properties of 2-(4-amino-2,6-difluorophenyl)sulfanyl-N-methylpropanamide?
2-(4-amino-2,6-difluorophenyl)sulfanyl-N-methylpropanamide has a molecular weight of 246.28 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2,6-difluorophenyl)sulfanyl-N-methylpropanamide is sourced from PubChem (CID 61360046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).