(2S)-N-fluoro-2-methyl-3-(5-methylthiophen-2-yl)propanamide

C9H12FNOS — CID 153438494

IUPAC(2S)-N-fluoro-2-methyl-3-(5-methylthiophen-2-yl)propanamide
SMILESCc1ccc(C[C@H](C)C(=O)NF)s1
InChIInChI=1S/C9H12FNOS/c1-6(9(12)11-10)5-8-4-3-7(2)13-8/h3-4,6H,5H2,1-2H3,(H,11,12)/t6-/m0/s1
InChIKeyVVAGTIXQOFHTMT-LURJTMIESA-N
MW201.27 g/mol
LogP2.24
Rot. Bonds3

About (2S)-N-fluoro-2-methyl-3-(5-methylthiophen-2-yl)propanamide

(2S)-N-fluoro-2-methyl-3-(5-methylthiophen-2-yl)propanamide (PubChem CID 153438494) has the molecular formula C9H12FNOS and a molecular weight of 201.27 g/mol. Its IUPAC name is (2S)-N-fluoro-2-methyl-3-(5-methylthiophen-2-yl)propanamide.

Molecular Properties

Compound Name(2S)-N-fluoro-2-methyl-3-(5-methylthiophen-2-yl)propanamide
PubChem CID153438494
Molecular FormulaC9H12FNOS
Molecular Weight201.27 g/mol
Exact Mass201.06
IUPAC Name(2S)-N-fluoro-2-methyl-3-(5-methylthiophen-2-yl)propanamide
SMILESCc1ccc(C[C@H](C)C(=O)NF)s1
InChIInChI=1S/C9H12FNOS/c1-6(9(12)11-10)5-8-4-3-7(2)13-8/h3-4,6H,5H2,1-2H3,(H,11,12)/t6-/m0/s1
InChIKeyVVAGTIXQOFHTMT-LURJTMIESA-N
XLogP2.24
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-fluoro-2-methyl-3-(5-methylthiophen-2-yl)propanamide?
The IUPAC name of (2S)-N-fluoro-2-methyl-3-(5-methylthiophen-2-yl)propanamide (CID 153438494) is (2S)-N-fluoro-2-methyl-3-(5-methylthiophen-2-yl)propanamide.
What is the SMILES notation for (2S)-N-fluoro-2-methyl-3-(5-methylthiophen-2-yl)propanamide?
The canonical SMILES for (2S)-N-fluoro-2-methyl-3-(5-methylthiophen-2-yl)propanamide is Cc1ccc(C[C@H](C)C(=O)NF)s1.
What is the InChIKey of (2S)-N-fluoro-2-methyl-3-(5-methylthiophen-2-yl)propanamide?
The InChIKey is VVAGTIXQOFHTMT-LURJTMIESA-N. The full InChI is InChI=1S/C9H12FNOS/c1-6(9(12)11-10)5-8-4-3-7(2)13-8/h3-4,6H,5H2,1-2H3,(H,11,12)/t6-/m0/s1.
What are the key properties of (2S)-N-fluoro-2-methyl-3-(5-methylthiophen-2-yl)propanamide?
(2S)-N-fluoro-2-methyl-3-(5-methylthiophen-2-yl)propanamide has a molecular weight of 201.27 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-fluoro-2-methyl-3-(5-methylthiophen-2-yl)propanamide is sourced from PubChem (CID 153438494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).