6-fluoro-N-[(2R)-1-hydroxypropan-2-yl]-1-benzothiophene-2-carboxamide

C12H12FNO2S — CID 81104873

IUPAC6-fluoro-N-[(2R)-1-hydroxypropan-2-yl]-1-benzothiophene-2-carboxamide
SMILESC[C@H](CO)NC(=O)c1cc2ccc(F)cc2s1
InChIInChI=1S/C12H12FNO2S/c1-7(6-15)14-12(16)11-4-8-2-3-9(13)5-10(8)17-11/h2-5,7,15H,6H2,1H3,(H,14,16)/t7-/m1/s1
InChIKeyMRIKGQZACONHKC-SSDOTTSWSA-N
MW253.30 g/mol
LogP2.15
Rot. Bonds3

About 6-fluoro-N-[(2R)-1-hydroxypropan-2-yl]-1-benzothiophene-2-carboxamide

6-fluoro-N-[(2R)-1-hydroxypropan-2-yl]-1-benzothiophene-2-carboxamide (PubChem CID 81104873) has the molecular formula C12H12FNO2S and a molecular weight of 253.30 g/mol. Its IUPAC name is 6-fluoro-N-[(2R)-1-hydroxypropan-2-yl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-[(2R)-1-hydroxypropan-2-yl]-1-benzothiophene-2-carboxamide
PubChem CID81104873
Molecular FormulaC12H12FNO2S
Molecular Weight253.30 g/mol
Exact Mass253.06
IUPAC Name6-fluoro-N-[(2R)-1-hydroxypropan-2-yl]-1-benzothiophene-2-carboxamide
SMILESC[C@H](CO)NC(=O)c1cc2ccc(F)cc2s1
InChIInChI=1S/C12H12FNO2S/c1-7(6-15)14-12(16)11-4-8-2-3-9(13)5-10(8)17-11/h2-5,7,15H,6H2,1H3,(H,14,16)/t7-/m1/s1
InChIKeyMRIKGQZACONHKC-SSDOTTSWSA-N
XLogP2.15
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[(2R)-1-hydroxypropan-2-yl]-1-benzothiophene-2-carboxamide?
The IUPAC name of 6-fluoro-N-[(2R)-1-hydroxypropan-2-yl]-1-benzothiophene-2-carboxamide (CID 81104873) is 6-fluoro-N-[(2R)-1-hydroxypropan-2-yl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 6-fluoro-N-[(2R)-1-hydroxypropan-2-yl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for 6-fluoro-N-[(2R)-1-hydroxypropan-2-yl]-1-benzothiophene-2-carboxamide is C[C@H](CO)NC(=O)c1cc2ccc(F)cc2s1.
What is the InChIKey of 6-fluoro-N-[(2R)-1-hydroxypropan-2-yl]-1-benzothiophene-2-carboxamide?
The InChIKey is MRIKGQZACONHKC-SSDOTTSWSA-N. The full InChI is InChI=1S/C12H12FNO2S/c1-7(6-15)14-12(16)11-4-8-2-3-9(13)5-10(8)17-11/h2-5,7,15H,6H2,1H3,(H,14,16)/t7-/m1/s1.
What are the key properties of 6-fluoro-N-[(2R)-1-hydroxypropan-2-yl]-1-benzothiophene-2-carboxamide?
6-fluoro-N-[(2R)-1-hydroxypropan-2-yl]-1-benzothiophene-2-carboxamide has a molecular weight of 253.30 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[(2R)-1-hydroxypropan-2-yl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 81104873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).