5-fluoro-N-[2-(2-methoxy-5-methylphenyl)ethyl]-1-benzothiophene-2-carboxamide

C19H18FNO2S — CID 24516105

IUPAC5-fluoro-N-[2-(2-methoxy-5-methylphenyl)ethyl]-1-benzothiophene-2-carboxamide
SMILESCOc1ccc(C)cc1CCNC(=O)c1cc2cc(F)ccc2s1
InChIInChI=1S/C19H18FNO2S/c1-12-3-5-16(23-2)13(9-12)7-8-21-19(22)18-11-14-10-15(20)4-6-17(14)24-18/h3-6,9-11H,7-8H2,1-2H3,(H,21,22)
InChIKeyGZTCERUTUHTCJG-UHFFFAOYSA-N
MW343.42 g/mol
LogP4.33
Rot. Bonds5

About 5-fluoro-N-[2-(2-methoxy-5-methylphenyl)ethyl]-1-benzothiophene-2-carboxamide

5-fluoro-N-[2-(2-methoxy-5-methylphenyl)ethyl]-1-benzothiophene-2-carboxamide (PubChem CID 24516105) has the molecular formula C19H18FNO2S and a molecular weight of 343.42 g/mol. Its IUPAC name is 5-fluoro-N-[2-(2-methoxy-5-methylphenyl)ethyl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-[2-(2-methoxy-5-methylphenyl)ethyl]-1-benzothiophene-2-carboxamide
PubChem CID24516105
Molecular FormulaC19H18FNO2S
Molecular Weight343.42 g/mol
Exact Mass343.10
IUPAC Name5-fluoro-N-[2-(2-methoxy-5-methylphenyl)ethyl]-1-benzothiophene-2-carboxamide
SMILESCOc1ccc(C)cc1CCNC(=O)c1cc2cc(F)ccc2s1
InChIInChI=1S/C19H18FNO2S/c1-12-3-5-16(23-2)13(9-12)7-8-21-19(22)18-11-14-10-15(20)4-6-17(14)24-18/h3-6,9-11H,7-8H2,1-2H3,(H,21,22)
InChIKeyGZTCERUTUHTCJG-UHFFFAOYSA-N
XLogP4.33
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 ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[2-(2-methoxy-5-methylphenyl)ethyl]-1-benzothiophene-2-carboxamide?
The IUPAC name of 5-fluoro-N-[2-(2-methoxy-5-methylphenyl)ethyl]-1-benzothiophene-2-carboxamide (CID 24516105) is 5-fluoro-N-[2-(2-methoxy-5-methylphenyl)ethyl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 5-fluoro-N-[2-(2-methoxy-5-methylphenyl)ethyl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for 5-fluoro-N-[2-(2-methoxy-5-methylphenyl)ethyl]-1-benzothiophene-2-carboxamide is COc1ccc(C)cc1CCNC(=O)c1cc2cc(F)ccc2s1.
What is the InChIKey of 5-fluoro-N-[2-(2-methoxy-5-methylphenyl)ethyl]-1-benzothiophene-2-carboxamide?
The InChIKey is GZTCERUTUHTCJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FNO2S/c1-12-3-5-16(23-2)13(9-12)7-8-21-19(22)18-11-14-10-15(20)4-6-17(14)24-18/h3-6,9-11H,7-8H2,1-2H3,(H,21,22).
What are the key properties of 5-fluoro-N-[2-(2-methoxy-5-methylphenyl)ethyl]-1-benzothiophene-2-carboxamide?
5-fluoro-N-[2-(2-methoxy-5-methylphenyl)ethyl]-1-benzothiophene-2-carboxamide has a molecular weight of 343.42 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[2-(2-methoxy-5-methylphenyl)ethyl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 24516105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).