(3S)-3-fluoro-N-methoxy-N-methyl-3-thiophen-2-ylpropanamide

C9H12FNO2S — CID 154713748

IUPAC(3S)-3-fluoro-N-methoxy-N-methyl-3-thiophen-2-ylpropanamide
SMILESCON(C)C(=O)C[C@H](F)c1cccs1
InChIInChI=1S/C9H12FNO2S/c1-11(13-2)9(12)6-7(10)8-4-3-5-14-8/h3-5,7H,6H2,1-2H3/t7-/m0/s1
InChIKeyGYCVKKGBQUPNDM-ZETCQYMHSA-N
MW217.26 g/mol
LogP2.17
Rot. Bonds4

About (3S)-3-fluoro-N-methoxy-N-methyl-3-thiophen-2-ylpropanamide

(3S)-3-fluoro-N-methoxy-N-methyl-3-thiophen-2-ylpropanamide (PubChem CID 154713748) has the molecular formula C9H12FNO2S and a molecular weight of 217.26 g/mol. Its IUPAC name is (3S)-3-fluoro-N-methoxy-N-methyl-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound Name(3S)-3-fluoro-N-methoxy-N-methyl-3-thiophen-2-ylpropanamide
PubChem CID154713748
Molecular FormulaC9H12FNO2S
Molecular Weight217.26 g/mol
Exact Mass217.06
IUPAC Name(3S)-3-fluoro-N-methoxy-N-methyl-3-thiophen-2-ylpropanamide
SMILESCON(C)C(=O)C[C@H](F)c1cccs1
InChIInChI=1S/C9H12FNO2S/c1-11(13-2)9(12)6-7(10)8-4-3-5-14-8/h3-5,7H,6H2,1-2H3/t7-/m0/s1
InChIKeyGYCVKKGBQUPNDM-ZETCQYMHSA-N
XLogP2.17
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Thiophene,2-(N,N-diMe acetamido)
CID 4632589
(1S,2R,3R)-2-fluoro-N-methoxy-N-methyl-3-thiophen-2-ylcyclopropane-1-carboxamide
CID 134845661
(3S)-3-fluoro-N-methoxy-N-methyl-3-thiophen-3-ylpropanamide
CID 134959545
N-methoxy-N-methyl-2-oxo-2-(thiophen-2-yl)acetamide
CID 10878144
N,N-dimethyl-3-thiophen-2-ylpropanamide
CID 39911468
N-methyl-N-(2-methylbutan-2-yl)-3-thiophen-2-ylpropanamide
CID 71876027
N,N-diethyl-2,2-difluoro-2-thiophen-2-ylacetamide
CID 11806571
(2Z,4E)-2-fluoro-N-methoxy-N-methyl-5-thiophen-2-ylpenta-2,4-dienamide
CID 102358338
3,3,3-trifluoro-N-hydroxy-2,2-dimethyl-N-(2-thiophen-2-ylethyl)propanamide
CID 172476772
2-fluoro-N-methoxy-N-methyl-3-thiophen-2-ylcyclopropane-1-carboxamide
CID 174828930
Acetamide, 2-(2-thiophenyl)-N-ethyl-N-heptyl-
CID 91693586
(E)-2-fluoro-N-methoxy-N-methyl-3-thiophen-2-ylprop-2-enamide
CID 42646126

Frequently Asked Questions

What is the IUPAC name of (3S)-3-fluoro-N-methoxy-N-methyl-3-thiophen-2-ylpropanamide?
The IUPAC name of (3S)-3-fluoro-N-methoxy-N-methyl-3-thiophen-2-ylpropanamide (CID 154713748) is (3S)-3-fluoro-N-methoxy-N-methyl-3-thiophen-2-ylpropanamide.
What is the SMILES notation for (3S)-3-fluoro-N-methoxy-N-methyl-3-thiophen-2-ylpropanamide?
The canonical SMILES for (3S)-3-fluoro-N-methoxy-N-methyl-3-thiophen-2-ylpropanamide is CON(C)C(=O)C[C@H](F)c1cccs1.
What is the InChIKey of (3S)-3-fluoro-N-methoxy-N-methyl-3-thiophen-2-ylpropanamide?
The InChIKey is GYCVKKGBQUPNDM-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H12FNO2S/c1-11(13-2)9(12)6-7(10)8-4-3-5-14-8/h3-5,7H,6H2,1-2H3/t7-/m0/s1.
What are the key properties of (3S)-3-fluoro-N-methoxy-N-methyl-3-thiophen-2-ylpropanamide?
(3S)-3-fluoro-N-methoxy-N-methyl-3-thiophen-2-ylpropanamide has a molecular weight of 217.26 g/mol, XLogP of 2.17, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-fluoro-N-methoxy-N-methyl-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 154713748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).