4-fluoro-3-(methoxymethyl)-N-(4-methyl-2-pyridinyl)-1-benzothiophene-2-carboxamide

C17H15FN2O2S — CID 24538053

IUPAC4-fluoro-3-(methoxymethyl)-N-(4-methyl-2-pyridinyl)-1-benzothiophene-2-carboxamide
SMILESCOCc1c(C(=O)Nc2cc(C)ccn2)sc2cccc(F)c12
InChIInChI=1S/C17H15FN2O2S/c1-10-6-7-19-14(8-10)20-17(21)16-11(9-22-2)15-12(18)4-3-5-13(15)23-16/h3-8H,9H2,1-2H3,(H,19,20,21)
InChIKeyNVJOLMPDFJFAMD-UHFFFAOYSA-N
MW330.38 g/mol
LogP4.14
Rot. Bonds4

About 4-fluoro-3-(methoxymethyl)-N-(4-methyl-2-pyridinyl)-1-benzothiophene-2-carboxamide

4-fluoro-3-(methoxymethyl)-N-(4-methyl-2-pyridinyl)-1-benzothiophene-2-carboxamide (PubChem CID 24538053) has the molecular formula C17H15FN2O2S and a molecular weight of 330.38 g/mol. Its IUPAC name is 4-fluoro-3-(methoxymethyl)-N-(4-methyl-2-pyridinyl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name4-fluoro-3-(methoxymethyl)-N-(4-methyl-2-pyridinyl)-1-benzothiophene-2-carboxamide
PubChem CID24538053
Molecular FormulaC17H15FN2O2S
Molecular Weight330.38 g/mol
Exact Mass330.08
IUPAC Name4-fluoro-3-(methoxymethyl)-N-(4-methyl-2-pyridinyl)-1-benzothiophene-2-carboxamide
SMILESCOCc1c(C(=O)Nc2cc(C)ccn2)sc2cccc(F)c12
InChIInChI=1S/C17H15FN2O2S/c1-10-6-7-19-14(8-10)20-17(21)16-11(9-22-2)15-12(18)4-3-5-13(15)23-16/h3-8H,9H2,1-2H3,(H,19,20,21)
InChIKeyNVJOLMPDFJFAMD-UHFFFAOYSA-N
XLogP4.14
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-(methoxymethyl)-N-(4-methyl-2-pyridinyl)-1-benzothiophene-2-carboxamide?
The IUPAC name of 4-fluoro-3-(methoxymethyl)-N-(4-methyl-2-pyridinyl)-1-benzothiophene-2-carboxamide (CID 24538053) is 4-fluoro-3-(methoxymethyl)-N-(4-methyl-2-pyridinyl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 4-fluoro-3-(methoxymethyl)-N-(4-methyl-2-pyridinyl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for 4-fluoro-3-(methoxymethyl)-N-(4-methyl-2-pyridinyl)-1-benzothiophene-2-carboxamide is COCc1c(C(=O)Nc2cc(C)ccn2)sc2cccc(F)c12.
What is the InChIKey of 4-fluoro-3-(methoxymethyl)-N-(4-methyl-2-pyridinyl)-1-benzothiophene-2-carboxamide?
The InChIKey is NVJOLMPDFJFAMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O2S/c1-10-6-7-19-14(8-10)20-17(21)16-11(9-22-2)15-12(18)4-3-5-13(15)23-16/h3-8H,9H2,1-2H3,(H,19,20,21).
What are the key properties of 4-fluoro-3-(methoxymethyl)-N-(4-methyl-2-pyridinyl)-1-benzothiophene-2-carboxamide?
4-fluoro-3-(methoxymethyl)-N-(4-methyl-2-pyridinyl)-1-benzothiophene-2-carboxamide has a molecular weight of 330.38 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-(methoxymethyl)-N-(4-methyl-2-pyridinyl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 24538053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).