4-fluoro-3-(methoxymethyl)-N-[(2-methylphenyl)methyl]-1-benzothiophene-2-carboxamide

C19H18FNO2S — CID 9489024

IUPAC4-fluoro-3-(methoxymethyl)-N-[(2-methylphenyl)methyl]-1-benzothiophene-2-carboxamide
SMILESCOCc1c(C(=O)NCc2ccccc2C)sc2cccc(F)c12
InChIInChI=1S/C19H18FNO2S/c1-12-6-3-4-7-13(12)10-21-19(22)18-14(11-23-2)17-15(20)8-5-9-16(17)24-18/h3-9H,10-11H2,1-2H3,(H,21,22)
InChIKeyGMGHUZPJAZEIQA-UHFFFAOYSA-N
MW343.42 g/mol
LogP4.43
Rot. Bonds5

About 4-fluoro-3-(methoxymethyl)-N-[(2-methylphenyl)methyl]-1-benzothiophene-2-carboxamide

4-fluoro-3-(methoxymethyl)-N-[(2-methylphenyl)methyl]-1-benzothiophene-2-carboxamide (PubChem CID 9489024) has the molecular formula C19H18FNO2S and a molecular weight of 343.42 g/mol. Its IUPAC name is 4-fluoro-3-(methoxymethyl)-N-[(2-methylphenyl)methyl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name4-fluoro-3-(methoxymethyl)-N-[(2-methylphenyl)methyl]-1-benzothiophene-2-carboxamide
PubChem CID9489024
Molecular FormulaC19H18FNO2S
Molecular Weight343.42 g/mol
Exact Mass343.10
IUPAC Name4-fluoro-3-(methoxymethyl)-N-[(2-methylphenyl)methyl]-1-benzothiophene-2-carboxamide
SMILESCOCc1c(C(=O)NCc2ccccc2C)sc2cccc(F)c12
InChIInChI=1S/C19H18FNO2S/c1-12-6-3-4-7-13(12)10-21-19(22)18-14(11-23-2)17-15(20)8-5-9-16(17)24-18/h3-9H,10-11H2,1-2H3,(H,21,22)
InChIKeyGMGHUZPJAZEIQA-UHFFFAOYSA-N
XLogP4.43
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 54.43
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-[(2-methylphenyl)methyl]-1-benzothiophene-2-carboxamide?
The IUPAC name of 4-fluoro-3-(methoxymethyl)-N-[(2-methylphenyl)methyl]-1-benzothiophene-2-carboxamide (CID 9489024) is 4-fluoro-3-(methoxymethyl)-N-[(2-methylphenyl)methyl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 4-fluoro-3-(methoxymethyl)-N-[(2-methylphenyl)methyl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for 4-fluoro-3-(methoxymethyl)-N-[(2-methylphenyl)methyl]-1-benzothiophene-2-carboxamide is COCc1c(C(=O)NCc2ccccc2C)sc2cccc(F)c12.
What is the InChIKey of 4-fluoro-3-(methoxymethyl)-N-[(2-methylphenyl)methyl]-1-benzothiophene-2-carboxamide?
The InChIKey is GMGHUZPJAZEIQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FNO2S/c1-12-6-3-4-7-13(12)10-21-19(22)18-14(11-23-2)17-15(20)8-5-9-16(17)24-18/h3-9H,10-11H2,1-2H3,(H,21,22).
What are the key properties of 4-fluoro-3-(methoxymethyl)-N-[(2-methylphenyl)methyl]-1-benzothiophene-2-carboxamide?
4-fluoro-3-(methoxymethyl)-N-[(2-methylphenyl)methyl]-1-benzothiophene-2-carboxamide has a molecular weight of 343.42 g/mol, XLogP of 4.43, 5 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-[(2-methylphenyl)methyl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 9489024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).