4-fluoro-3-(methoxymethyl)-N-[2-(4-methoxyphenyl)ethyl]-1-benzothiophene-2-carboxamide

C20H20FNO3S — CID 24538284

IUPAC4-fluoro-3-(methoxymethyl)-N-[2-(4-methoxyphenyl)ethyl]-1-benzothiophene-2-carboxamide
SMILESCOCc1c(C(=O)NCCc2ccc(OC)cc2)sc2cccc(F)c12
InChIInChI=1S/C20H20FNO3S/c1-24-12-15-18-16(21)4-3-5-17(18)26-19(15)20(23)22-11-10-13-6-8-14(25-2)9-7-13/h3-9H,10-12H2,1-2H3,(H,22,23)
InChIKeyZTFRATGWAPPFFK-UHFFFAOYSA-N
MW373.45 g/mol
LogP4.17
Rot. Bonds7

About 4-fluoro-3-(methoxymethyl)-N-[2-(4-methoxyphenyl)ethyl]-1-benzothiophene-2-carboxamide

4-fluoro-3-(methoxymethyl)-N-[2-(4-methoxyphenyl)ethyl]-1-benzothiophene-2-carboxamide (PubChem CID 24538284) has the molecular formula C20H20FNO3S and a molecular weight of 373.45 g/mol. Its IUPAC name is 4-fluoro-3-(methoxymethyl)-N-[2-(4-methoxyphenyl)ethyl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name4-fluoro-3-(methoxymethyl)-N-[2-(4-methoxyphenyl)ethyl]-1-benzothiophene-2-carboxamide
PubChem CID24538284
Molecular FormulaC20H20FNO3S
Molecular Weight373.45 g/mol
Exact Mass373.11
IUPAC Name4-fluoro-3-(methoxymethyl)-N-[2-(4-methoxyphenyl)ethyl]-1-benzothiophene-2-carboxamide
SMILESCOCc1c(C(=O)NCCc2ccc(OC)cc2)sc2cccc(F)c12
InChIInChI=1S/C20H20FNO3S/c1-24-12-15-18-16(21)4-3-5-17(18)26-19(15)20(23)22-11-10-13-6-8-14(25-2)9-7-13/h3-9H,10-12H2,1-2H3,(H,22,23)
InChIKeyZTFRATGWAPPFFK-UHFFFAOYSA-N
XLogP4.17
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-2-methylpropyl)-4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxamide
CID 119626513
N-(3-aminobutyl)-4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxamide
CID 119495565
4-fluoro-3-(methoxymethyl)-N-[[2-(methoxymethyl)phenyl]methyl]-1-benzothiophene-2-carboxamide
CID 32603940
N-[2-(ethylamino)-2-oxoethyl]-4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxamide
CID 86911123
N-[2-(2,6-dimethylphenoxy)ethyl]-4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxamide
CID 55716873
4-fluoro-3-(methoxymethyl)-N-(3-methoxyphenyl)-1-benzothiophene-2-carboxamide
CID 27666393
4-fluoro-3-(methoxymethyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-1-benzothiophene-2-carboxamide
CID 134025251
methyl 3-[[4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carbonyl]amino]-3-(4-methoxyphenyl)propanoate
CID 55439922
N-(2,6-dimethylphenyl)-4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxamide
CID 16562791
4-fluoro-3-(methoxymethyl)-N-[2-(4-methoxyphenoxy)-3-pyridinyl]-1-benzothiophene-2-carboxamide
CID 55661510
N-[4-(4-benzylpiperazin-1-yl)butyl]-4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxamide
CID 55933270
N-(3,4-difluorophenyl)-4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxamide
CID 27667570

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-(methoxymethyl)-N-[2-(4-methoxyphenyl)ethyl]-1-benzothiophene-2-carboxamide?
The IUPAC name of 4-fluoro-3-(methoxymethyl)-N-[2-(4-methoxyphenyl)ethyl]-1-benzothiophene-2-carboxamide (CID 24538284) is 4-fluoro-3-(methoxymethyl)-N-[2-(4-methoxyphenyl)ethyl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 4-fluoro-3-(methoxymethyl)-N-[2-(4-methoxyphenyl)ethyl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for 4-fluoro-3-(methoxymethyl)-N-[2-(4-methoxyphenyl)ethyl]-1-benzothiophene-2-carboxamide is COCc1c(C(=O)NCCc2ccc(OC)cc2)sc2cccc(F)c12.
What is the InChIKey of 4-fluoro-3-(methoxymethyl)-N-[2-(4-methoxyphenyl)ethyl]-1-benzothiophene-2-carboxamide?
The InChIKey is ZTFRATGWAPPFFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FNO3S/c1-24-12-15-18-16(21)4-3-5-17(18)26-19(15)20(23)22-11-10-13-6-8-14(25-2)9-7-13/h3-9H,10-12H2,1-2H3,(H,22,23).
What are the key properties of 4-fluoro-3-(methoxymethyl)-N-[2-(4-methoxyphenyl)ethyl]-1-benzothiophene-2-carboxamide?
4-fluoro-3-(methoxymethyl)-N-[2-(4-methoxyphenyl)ethyl]-1-benzothiophene-2-carboxamide has a molecular weight of 373.45 g/mol, XLogP of 4.17, 7 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-[2-(4-methoxyphenyl)ethyl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 24538284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).