4-fluoro-3-methoxy-N-propan-2-yl-1-benzothiophene-2-carboxamide

C13H14FNO2S — CID 53014201

IUPAC4-fluoro-3-methoxy-N-propan-2-yl-1-benzothiophene-2-carboxamide
SMILESCOc1c(C(=O)NC(C)C)sc2cccc(F)c12
InChIInChI=1S/C13H14FNO2S/c1-7(2)15-13(16)12-11(17-3)10-8(14)5-4-6-9(10)18-12/h4-7H,1-3H3,(H,15,16)
InChIKeyXUGYDLDIQNKJOE-UHFFFAOYSA-N
MW267.32 g/mol
LogP3.19
Rot. Bonds3

About 4-fluoro-3-methoxy-N-propan-2-yl-1-benzothiophene-2-carboxamide

4-fluoro-3-methoxy-N-propan-2-yl-1-benzothiophene-2-carboxamide (PubChem CID 53014201) has the molecular formula C13H14FNO2S and a molecular weight of 267.32 g/mol. Its IUPAC name is 4-fluoro-3-methoxy-N-propan-2-yl-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name4-fluoro-3-methoxy-N-propan-2-yl-1-benzothiophene-2-carboxamide
PubChem CID53014201
Molecular FormulaC13H14FNO2S
Molecular Weight267.32 g/mol
Exact Mass267.07
IUPAC Name4-fluoro-3-methoxy-N-propan-2-yl-1-benzothiophene-2-carboxamide
SMILESCOc1c(C(=O)NC(C)C)sc2cccc(F)c12
InChIInChI=1S/C13H14FNO2S/c1-7(2)15-13(16)12-11(17-3)10-8(14)5-4-6-9(10)18-12/h4-7H,1-3H3,(H,15,16)
InChIKeyXUGYDLDIQNKJOE-UHFFFAOYSA-N
XLogP3.19
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methoxy-N-propan-2-yl-1-benzothiophene-2-carboxamide?
The IUPAC name of 4-fluoro-3-methoxy-N-propan-2-yl-1-benzothiophene-2-carboxamide (CID 53014201) is 4-fluoro-3-methoxy-N-propan-2-yl-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 4-fluoro-3-methoxy-N-propan-2-yl-1-benzothiophene-2-carboxamide?
The canonical SMILES for 4-fluoro-3-methoxy-N-propan-2-yl-1-benzothiophene-2-carboxamide is COc1c(C(=O)NC(C)C)sc2cccc(F)c12.
What is the InChIKey of 4-fluoro-3-methoxy-N-propan-2-yl-1-benzothiophene-2-carboxamide?
The InChIKey is XUGYDLDIQNKJOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO2S/c1-7(2)15-13(16)12-11(17-3)10-8(14)5-4-6-9(10)18-12/h4-7H,1-3H3,(H,15,16).
What are the key properties of 4-fluoro-3-methoxy-N-propan-2-yl-1-benzothiophene-2-carboxamide?
4-fluoro-3-methoxy-N-propan-2-yl-1-benzothiophene-2-carboxamide has a molecular weight of 267.32 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methoxy-N-propan-2-yl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 53014201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).