2-fluoro-N-[2-(5-hydroxy-1-benzothiophen-3-yl)ethyl]acetamide

C12H12FNO2S — CID 174424878

IUPAC2-fluoro-N-[2-(5-hydroxy-1-benzothiophen-3-yl)ethyl]acetamide
SMILESO=C(CF)NCCc1csc2ccc(O)cc12
InChIInChI=1S/C12H12FNO2S/c13-6-12(16)14-4-3-8-7-17-11-2-1-9(15)5-10(8)11/h1-2,5,7,15H,3-4,6H2,(H,14,16)
InChIKeyFOUPEFBYFHRGFU-UHFFFAOYSA-N
MW253.30 g/mol
LogP2.24
Rot. Bonds4

About 2-fluoro-N-[2-(5-hydroxy-1-benzothiophen-3-yl)ethyl]acetamide

2-fluoro-N-[2-(5-hydroxy-1-benzothiophen-3-yl)ethyl]acetamide (PubChem CID 174424878) has the molecular formula C12H12FNO2S and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-fluoro-N-[2-(5-hydroxy-1-benzothiophen-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-fluoro-N-[2-(5-hydroxy-1-benzothiophen-3-yl)ethyl]acetamide
PubChem CID174424878
Molecular FormulaC12H12FNO2S
Molecular Weight253.30 g/mol
Exact Mass253.06
IUPAC Name2-fluoro-N-[2-(5-hydroxy-1-benzothiophen-3-yl)ethyl]acetamide
SMILESO=C(CF)NCCc1csc2ccc(O)cc12
InChIInChI=1S/C12H12FNO2S/c13-6-12(16)14-4-3-8-7-17-11-2-1-9(15)5-10(8)11/h1-2,5,7,15H,3-4,6H2,(H,14,16)
InChIKeyFOUPEFBYFHRGFU-UHFFFAOYSA-N
XLogP2.24
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-fluoro-N-[2-(5-hydroxy-1-benzothiophen-3-yl)ethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Acetamide, N-(2-(5-methoxybenzo(b)thien-3-yl)ethyl)-
CID 34247
2,3,4,5-Tetrahydro-10-hydroxybenzo[b]thieno[2,3-f]-1,5-thiazocin-6-one
CID 53317515
N-[2-(5-methoxy-1-benzothiophen-3-yl)ethyl]pentanamide
CID 10085672
Cyclopropanecarboxylic acid [2-(5-methoxy-benzo[b]thiophen-3-yl)-ethyl]-amide
CID 10333620
Benzo(b)thiophen-5-ol, 3-(2-aminoethyl)-
CID 25600
AANAT Inhibitor, 8d
CID 10087862
AANAT Inhibitor, 12d
CID 57340191
2-Iodo-N-[2-(5-methoxy-benzo[b]thiophen-3-yl)-ethyl]-acetamide
CID 10248871
N-[2-(5-propoxy-1-benzothiophen-3-yl)ethyl]acetamide
CID 44359479
3-(2-(Dimethylamino)ethyl)benzo(b)thiophene-5-ol
CID 34249
N-[2-(6-Fluoro-5-methoxy-1-benzothiophen-3-yl)ethyl]acetamide
CID 13238025
[3-[2-(Prop-2-enylcarbamoylamino)ethyl]-1-benzothiophen-5-yl] trifluoromethanesulfonate
CID 18360666

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-(5-hydroxy-1-benzothiophen-3-yl)ethyl]acetamide?
The IUPAC name of 2-fluoro-N-[2-(5-hydroxy-1-benzothiophen-3-yl)ethyl]acetamide (CID 174424878) is 2-fluoro-N-[2-(5-hydroxy-1-benzothiophen-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-fluoro-N-[2-(5-hydroxy-1-benzothiophen-3-yl)ethyl]acetamide?
The canonical SMILES for 2-fluoro-N-[2-(5-hydroxy-1-benzothiophen-3-yl)ethyl]acetamide is O=C(CF)NCCc1csc2ccc(O)cc12.
What is the InChIKey of 2-fluoro-N-[2-(5-hydroxy-1-benzothiophen-3-yl)ethyl]acetamide?
The InChIKey is FOUPEFBYFHRGFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO2S/c13-6-12(16)14-4-3-8-7-17-11-2-1-9(15)5-10(8)11/h1-2,5,7,15H,3-4,6H2,(H,14,16).
What are the key properties of 2-fluoro-N-[2-(5-hydroxy-1-benzothiophen-3-yl)ethyl]acetamide?
2-fluoro-N-[2-(5-hydroxy-1-benzothiophen-3-yl)ethyl]acetamide has a molecular weight of 253.30 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-(5-hydroxy-1-benzothiophen-3-yl)ethyl]acetamide is sourced from PubChem (CID 174424878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).