4-fluoro-3-(methoxymethyl)-N-[2-(4-methoxyphenoxy)-3-pyridinyl]-1-benzothiophene-2-carboxamide

C23H19FN2O4S — CID 55661510

IUPAC4-fluoro-3-(methoxymethyl)-N-[2-(4-methoxyphenoxy)-3-pyridinyl]-1-benzothiophene-2-carboxamide
SMILESCOCc1c(C(=O)Nc2cccnc2Oc2ccc(OC)cc2)sc2cccc(F)c12
InChIInChI=1S/C23H19FN2O4S/c1-28-13-16-20-17(24)5-3-7-19(20)31-21(16)22(27)26-18-6-4-12-25-23(18)30-15-10-8-14(29-2)9-11-15/h3-12H,13H2,1-2H3,(H,26,27)
InChIKeyGSWZKJQSEGXGNC-UHFFFAOYSA-N
MW438.48 g/mol
LogP5.64
Rot. Bonds7

About 4-fluoro-3-(methoxymethyl)-N-[2-(4-methoxyphenoxy)-3-pyridinyl]-1-benzothiophene-2-carboxamide

4-fluoro-3-(methoxymethyl)-N-[2-(4-methoxyphenoxy)-3-pyridinyl]-1-benzothiophene-2-carboxamide (PubChem CID 55661510) has the molecular formula C23H19FN2O4S and a molecular weight of 438.48 g/mol. Its IUPAC name is 4-fluoro-3-(methoxymethyl)-N-[2-(4-methoxyphenoxy)-3-pyridinyl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name4-fluoro-3-(methoxymethyl)-N-[2-(4-methoxyphenoxy)-3-pyridinyl]-1-benzothiophene-2-carboxamide
PubChem CID55661510
Molecular FormulaC23H19FN2O4S
Molecular Weight438.48 g/mol
Exact Mass438.10
IUPAC Name4-fluoro-3-(methoxymethyl)-N-[2-(4-methoxyphenoxy)-3-pyridinyl]-1-benzothiophene-2-carboxamide
SMILESCOCc1c(C(=O)Nc2cccnc2Oc2ccc(OC)cc2)sc2cccc(F)c12
InChIInChI=1S/C23H19FN2O4S/c1-28-13-16-20-17(24)5-3-7-19(20)31-21(16)22(27)26-18-6-4-12-25-23(18)30-15-10-8-14(29-2)9-11-15/h3-12H,13H2,1-2H3,(H,26,27)
InChIKeyGSWZKJQSEGXGNC-UHFFFAOYSA-N
XLogP5.64
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.48
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-fluoro-3-(methoxymethyl)-N-(3-methoxyphenyl)-1-benzothiophene-2-carboxamide
CID 27666393
N-(2,6-dimethylphenyl)-4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxamide
CID 16562791
4-fluoro-3-(methoxymethyl)-N-[2-(4-methoxyphenyl)ethyl]-1-benzothiophene-2-carboxamide
CID 24538284
4-fluoro-3-(methoxymethyl)-N-(4-methyl-2-propoxyphenyl)-1-benzothiophene-2-carboxamide
CID 55902863
N-(2-bromo-4-methylphenyl)-4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxamide
CID 27667992
N-(3,5-dimethylphenyl)-4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxamide
CID 7668737
N-(3,4-difluorophenyl)-4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxamide
CID 27667570
N-(3,4-dimethoxyphenyl)-4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxamide
CID 27667583
N-(2-amino-2-methylpropyl)-4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxamide
CID 119626513
N-(4-acetyl-1,3-thiazol-2-yl)-4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxamide
CID 51248212
4-fluoro-3-(methoxymethyl)-N-[4-(1,3-thiazol-2-yl)phenyl]-1-benzothiophene-2-carboxamide
CID 27675941
N-[6-(diethylamino)-3-pyridinyl]-4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxamide
CID 55784125

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-(methoxymethyl)-N-[2-(4-methoxyphenoxy)-3-pyridinyl]-1-benzothiophene-2-carboxamide?
The IUPAC name of 4-fluoro-3-(methoxymethyl)-N-[2-(4-methoxyphenoxy)-3-pyridinyl]-1-benzothiophene-2-carboxamide (CID 55661510) is 4-fluoro-3-(methoxymethyl)-N-[2-(4-methoxyphenoxy)-3-pyridinyl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 4-fluoro-3-(methoxymethyl)-N-[2-(4-methoxyphenoxy)-3-pyridinyl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for 4-fluoro-3-(methoxymethyl)-N-[2-(4-methoxyphenoxy)-3-pyridinyl]-1-benzothiophene-2-carboxamide is COCc1c(C(=O)Nc2cccnc2Oc2ccc(OC)cc2)sc2cccc(F)c12.
What is the InChIKey of 4-fluoro-3-(methoxymethyl)-N-[2-(4-methoxyphenoxy)-3-pyridinyl]-1-benzothiophene-2-carboxamide?
The InChIKey is GSWZKJQSEGXGNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN2O4S/c1-28-13-16-20-17(24)5-3-7-19(20)31-21(16)22(27)26-18-6-4-12-25-23(18)30-15-10-8-14(29-2)9-11-15/h3-12H,13H2,1-2H3,(H,26,27).
What are the key properties of 4-fluoro-3-(methoxymethyl)-N-[2-(4-methoxyphenoxy)-3-pyridinyl]-1-benzothiophene-2-carboxamide?
4-fluoro-3-(methoxymethyl)-N-[2-(4-methoxyphenoxy)-3-pyridinyl]-1-benzothiophene-2-carboxamide has a molecular weight of 438.48 g/mol, XLogP of 5.64, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-(methoxymethyl)-N-[2-(4-methoxyphenoxy)-3-pyridinyl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 55661510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).