4-fluoro-3-(methoxymethyl)-N-[3-(1H-pyrazol-5-yl)phenyl]-1-benzothiophene-2-carboxamide

C20H16FN3O2S — CID 25347952

IUPAC4-fluoro-3-(methoxymethyl)-N-[3-(1H-pyrazol-5-yl)phenyl]-1-benzothiophene-2-carboxamide
SMILESCOCc1c(C(=O)Nc2cccc(-c3ccn[nH]3)c2)sc2cccc(F)c12
InChIInChI=1S/C20H16FN3O2S/c1-26-11-14-18-15(21)6-3-7-17(18)27-19(14)20(25)23-13-5-2-4-12(10-13)16-8-9-22-24-16/h2-10H,11H2,1H3,(H,22,24)(H,23,25)
InChIKeyHYUHTKSTGLOLOF-UHFFFAOYSA-N
MW381.43 g/mol
LogP4.83
Rot. Bonds5

About 4-fluoro-3-(methoxymethyl)-N-[3-(1H-pyrazol-5-yl)phenyl]-1-benzothiophene-2-carboxamide

4-fluoro-3-(methoxymethyl)-N-[3-(1H-pyrazol-5-yl)phenyl]-1-benzothiophene-2-carboxamide (PubChem CID 25347952) has the molecular formula C20H16FN3O2S and a molecular weight of 381.43 g/mol. Its IUPAC name is 4-fluoro-3-(methoxymethyl)-N-[3-(1H-pyrazol-5-yl)phenyl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name4-fluoro-3-(methoxymethyl)-N-[3-(1H-pyrazol-5-yl)phenyl]-1-benzothiophene-2-carboxamide
PubChem CID25347952
Molecular FormulaC20H16FN3O2S
Molecular Weight381.43 g/mol
Exact Mass381.09
IUPAC Name4-fluoro-3-(methoxymethyl)-N-[3-(1H-pyrazol-5-yl)phenyl]-1-benzothiophene-2-carboxamide
SMILESCOCc1c(C(=O)Nc2cccc(-c3ccn[nH]3)c2)sc2cccc(F)c12
InChIInChI=1S/C20H16FN3O2S/c1-26-11-14-18-15(21)6-3-7-17(18)27-19(14)20(25)23-13-5-2-4-12(10-13)16-8-9-22-24-16/h2-10H,11H2,1H3,(H,22,24)(H,23,25)
InChIKeyHYUHTKSTGLOLOF-UHFFFAOYSA-N
XLogP4.83
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-(methoxymethyl)-N-[3-(1H-pyrazol-5-yl)phenyl]-1-benzothiophene-2-carboxamide?
The IUPAC name of 4-fluoro-3-(methoxymethyl)-N-[3-(1H-pyrazol-5-yl)phenyl]-1-benzothiophene-2-carboxamide (CID 25347952) is 4-fluoro-3-(methoxymethyl)-N-[3-(1H-pyrazol-5-yl)phenyl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 4-fluoro-3-(methoxymethyl)-N-[3-(1H-pyrazol-5-yl)phenyl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for 4-fluoro-3-(methoxymethyl)-N-[3-(1H-pyrazol-5-yl)phenyl]-1-benzothiophene-2-carboxamide is COCc1c(C(=O)Nc2cccc(-c3ccn[nH]3)c2)sc2cccc(F)c12.
What is the InChIKey of 4-fluoro-3-(methoxymethyl)-N-[3-(1H-pyrazol-5-yl)phenyl]-1-benzothiophene-2-carboxamide?
The InChIKey is HYUHTKSTGLOLOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3O2S/c1-26-11-14-18-15(21)6-3-7-17(18)27-19(14)20(25)23-13-5-2-4-12(10-13)16-8-9-22-24-16/h2-10H,11H2,1H3,(H,22,24)(H,23,25).
What are the key properties of 4-fluoro-3-(methoxymethyl)-N-[3-(1H-pyrazol-5-yl)phenyl]-1-benzothiophene-2-carboxamide?
4-fluoro-3-(methoxymethyl)-N-[3-(1H-pyrazol-5-yl)phenyl]-1-benzothiophene-2-carboxamide has a molecular weight of 381.43 g/mol, XLogP of 4.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-(methoxymethyl)-N-[3-(1H-pyrazol-5-yl)phenyl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 25347952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).