4-fluoro-3-(methoxymethyl)-N-pentan-3-yl-1-benzothiophene-2-carboxamide

C16H20FNO2S — CID 9268400

IUPAC4-fluoro-3-(methoxymethyl)-N-pentan-3-yl-1-benzothiophene-2-carboxamide
SMILESCCC(CC)NC(=O)c1sc2cccc(F)c2c1COC
InChIInChI=1S/C16H20FNO2S/c1-4-10(5-2)18-16(19)15-11(9-20-3)14-12(17)7-6-8-13(14)21-15/h6-8,10H,4-5,9H2,1-3H3,(H,18,19)
InChIKeyAARLIZURDQMKKU-UHFFFAOYSA-N
MW309.41 g/mol
LogP4.11
Rot. Bonds6

About 4-fluoro-3-(methoxymethyl)-N-pentan-3-yl-1-benzothiophene-2-carboxamide

4-fluoro-3-(methoxymethyl)-N-pentan-3-yl-1-benzothiophene-2-carboxamide (PubChem CID 9268400) has the molecular formula C16H20FNO2S and a molecular weight of 309.41 g/mol. Its IUPAC name is 4-fluoro-3-(methoxymethyl)-N-pentan-3-yl-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name4-fluoro-3-(methoxymethyl)-N-pentan-3-yl-1-benzothiophene-2-carboxamide
PubChem CID9268400
Molecular FormulaC16H20FNO2S
Molecular Weight309.41 g/mol
Exact Mass309.12
IUPAC Name4-fluoro-3-(methoxymethyl)-N-pentan-3-yl-1-benzothiophene-2-carboxamide
SMILESCCC(CC)NC(=O)c1sc2cccc(F)c2c1COC
InChIInChI=1S/C16H20FNO2S/c1-4-10(5-2)18-16(19)15-11(9-20-3)14-12(17)7-6-8-13(14)21-15/h6-8,10H,4-5,9H2,1-3H3,(H,18,19)
InChIKeyAARLIZURDQMKKU-UHFFFAOYSA-N
XLogP4.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-(methoxymethyl)-N-pentan-3-yl-1-benzothiophene-2-carboxamide?
The IUPAC name of 4-fluoro-3-(methoxymethyl)-N-pentan-3-yl-1-benzothiophene-2-carboxamide (CID 9268400) is 4-fluoro-3-(methoxymethyl)-N-pentan-3-yl-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 4-fluoro-3-(methoxymethyl)-N-pentan-3-yl-1-benzothiophene-2-carboxamide?
The canonical SMILES for 4-fluoro-3-(methoxymethyl)-N-pentan-3-yl-1-benzothiophene-2-carboxamide is CCC(CC)NC(=O)c1sc2cccc(F)c2c1COC.
What is the InChIKey of 4-fluoro-3-(methoxymethyl)-N-pentan-3-yl-1-benzothiophene-2-carboxamide?
The InChIKey is AARLIZURDQMKKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO2S/c1-4-10(5-2)18-16(19)15-11(9-20-3)14-12(17)7-6-8-13(14)21-15/h6-8,10H,4-5,9H2,1-3H3,(H,18,19).
What are the key properties of 4-fluoro-3-(methoxymethyl)-N-pentan-3-yl-1-benzothiophene-2-carboxamide?
4-fluoro-3-(methoxymethyl)-N-pentan-3-yl-1-benzothiophene-2-carboxamide has a molecular weight of 309.41 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-(methoxymethyl)-N-pentan-3-yl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 9268400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).