N-[2-(6-fluoro-5-methoxy-1-benzothiophen-3-yl)ethyl]acetamide

C13H14FNO2S — CID 13238025

IUPACN-[2-(6-fluoro-5-methoxy-1-benzothiophen-3-yl)ethyl]acetamide
SMILESCOc1cc2c(CCNC(C)=O)csc2cc1F
InChIInChI=1S/C13H14FNO2S/c1-8(16)15-4-3-9-7-18-13-6-11(14)12(17-2)5-10(9)13/h5-7H,3-4H2,1-2H3,(H,15,16)
InChIKeyYOOQVXUEPDMEFL-UHFFFAOYSA-N
MW267.32 g/mol
LogP2.73
Rot. Bonds4

About N-[2-(6-fluoro-5-methoxy-1-benzothiophen-3-yl)ethyl]acetamide

N-[2-(6-fluoro-5-methoxy-1-benzothiophen-3-yl)ethyl]acetamide (PubChem CID 13238025) has the molecular formula C13H14FNO2S and a molecular weight of 267.32 g/mol. Its IUPAC name is N-[2-(6-fluoro-5-methoxy-1-benzothiophen-3-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(6-fluoro-5-methoxy-1-benzothiophen-3-yl)ethyl]acetamide
PubChem CID13238025
Molecular FormulaC13H14FNO2S
Molecular Weight267.32 g/mol
Exact Mass267.07
IUPAC NameN-[2-(6-fluoro-5-methoxy-1-benzothiophen-3-yl)ethyl]acetamide
SMILESCOc1cc2c(CCNC(C)=O)csc2cc1F
InChIInChI=1S/C13H14FNO2S/c1-8(16)15-4-3-9-7-18-13-6-11(14)12(17-2)5-10(9)13/h5-7H,3-4H2,1-2H3,(H,15,16)
InChIKeyYOOQVXUEPDMEFL-UHFFFAOYSA-N
XLogP2.73
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(6-fluoro-5-methoxy-1-benzothiophen-3-yl)ethyl]acetamide?
The IUPAC name of N-[2-(6-fluoro-5-methoxy-1-benzothiophen-3-yl)ethyl]acetamide (CID 13238025) is N-[2-(6-fluoro-5-methoxy-1-benzothiophen-3-yl)ethyl]acetamide.
What is the SMILES notation for N-[2-(6-fluoro-5-methoxy-1-benzothiophen-3-yl)ethyl]acetamide?
The canonical SMILES for N-[2-(6-fluoro-5-methoxy-1-benzothiophen-3-yl)ethyl]acetamide is COc1cc2c(CCNC(C)=O)csc2cc1F.
What is the InChIKey of N-[2-(6-fluoro-5-methoxy-1-benzothiophen-3-yl)ethyl]acetamide?
The InChIKey is YOOQVXUEPDMEFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO2S/c1-8(16)15-4-3-9-7-18-13-6-11(14)12(17-2)5-10(9)13/h5-7H,3-4H2,1-2H3,(H,15,16).
What are the key properties of N-[2-(6-fluoro-5-methoxy-1-benzothiophen-3-yl)ethyl]acetamide?
N-[2-(6-fluoro-5-methoxy-1-benzothiophen-3-yl)ethyl]acetamide has a molecular weight of 267.32 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-fluoro-5-methoxy-1-benzothiophen-3-yl)ethyl]acetamide is sourced from PubChem (CID 13238025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).