(2S)-3-(1-benzothiophen-2-yl)-N-fluoro-2-methylpropanamide

C12H12FNOS — CID 153438481

IUPAC(2S)-3-(1-benzothiophen-2-yl)-N-fluoro-2-methylpropanamide
SMILESC[C@@H](Cc1cc2ccccc2s1)C(=O)NF
InChIInChI=1S/C12H12FNOS/c1-8(12(15)14-13)6-10-7-9-4-2-3-5-11(9)16-10/h2-5,7-8H,6H2,1H3,(H,14,15)/t8-/m0/s1
InChIKeyLEUYECRUAZYNCT-QMMMGPOBSA-N
MW237.30 g/mol
LogP3.08
Rot. Bonds3

About (2S)-3-(1-benzothiophen-2-yl)-N-fluoro-2-methylpropanamide

(2S)-3-(1-benzothiophen-2-yl)-N-fluoro-2-methylpropanamide (PubChem CID 153438481) has the molecular formula C12H12FNOS and a molecular weight of 237.30 g/mol. Its IUPAC name is (2S)-3-(1-benzothiophen-2-yl)-N-fluoro-2-methylpropanamide.

Molecular Properties

Compound Name(2S)-3-(1-benzothiophen-2-yl)-N-fluoro-2-methylpropanamide
PubChem CID153438481
Molecular FormulaC12H12FNOS
Molecular Weight237.30 g/mol
Exact Mass237.06
IUPAC Name(2S)-3-(1-benzothiophen-2-yl)-N-fluoro-2-methylpropanamide
SMILESC[C@@H](Cc1cc2ccccc2s1)C(=O)NF
InChIInChI=1S/C12H12FNOS/c1-8(12(15)14-13)6-10-7-9-4-2-3-5-11(9)16-10/h2-5,7-8H,6H2,1H3,(H,14,15)/t8-/m0/s1
InChIKeyLEUYECRUAZYNCT-QMMMGPOBSA-N
XLogP3.08
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Benzo[b]thiophen-2-yl-N-hydroxy-N-methyl-propionamide
CID 10847360
1-Benzothiophene-2-carboxamide
CID 237073
3-Thiopheneacetamide, alpha-(phenylmethyl)-
CID 3056601
3-[(1-Methylethyl)thio]benzo[b]thiophene-2-carboxamide
CID 10490982
Benzo[b]thiophene-3-acetamide
CID 268631
7-[5-(3-Phenylpropyl)thiophen-2-yl]heptanamide
CID 15667483
N,N-dimethyl-2-(3-methyl-1-benzothiophen-2-yl)acetamide
CID 2824091
(3S)-7-fluoro-1,2,3,4-tetrahydrodibenzothiophene-3-carboxamide
CID 129389178
2-(Benzothiophen-3-yl)acetohydrazide
CID 227330
(2-Methylbenzo(b)thien-3-yl)acetamide
CID 595389
(2,5-Dimethylbenzo(b)thien-3-yl)acetamide
CID 600419
1-(1-Benzothiophen-2-yl)propan-2-one
CID 12575457

Frequently Asked Questions

What is the IUPAC name of (2S)-3-(1-benzothiophen-2-yl)-N-fluoro-2-methylpropanamide?
The IUPAC name of (2S)-3-(1-benzothiophen-2-yl)-N-fluoro-2-methylpropanamide (CID 153438481) is (2S)-3-(1-benzothiophen-2-yl)-N-fluoro-2-methylpropanamide.
What is the SMILES notation for (2S)-3-(1-benzothiophen-2-yl)-N-fluoro-2-methylpropanamide?
The canonical SMILES for (2S)-3-(1-benzothiophen-2-yl)-N-fluoro-2-methylpropanamide is C[C@@H](Cc1cc2ccccc2s1)C(=O)NF.
What is the InChIKey of (2S)-3-(1-benzothiophen-2-yl)-N-fluoro-2-methylpropanamide?
The InChIKey is LEUYECRUAZYNCT-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H12FNOS/c1-8(12(15)14-13)6-10-7-9-4-2-3-5-11(9)16-10/h2-5,7-8H,6H2,1H3,(H,14,15)/t8-/m0/s1.
What are the key properties of (2S)-3-(1-benzothiophen-2-yl)-N-fluoro-2-methylpropanamide?
(2S)-3-(1-benzothiophen-2-yl)-N-fluoro-2-methylpropanamide has a molecular weight of 237.30 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(1-benzothiophen-2-yl)-N-fluoro-2-methylpropanamide is sourced from PubChem (CID 153438481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).