4-fluoro-N-(2-methoxyphenyl)-3-methyl-1-benzothiophene-2-carboxamide

C17H14FNO2S — CID 8776982

IUPAC4-fluoro-N-(2-methoxyphenyl)-3-methyl-1-benzothiophene-2-carboxamide
SMILESCOc1ccccc1NC(=O)c1sc2cccc(F)c2c1C
InChIInChI=1S/C17H14FNO2S/c1-10-15-11(18)6-5-9-14(15)22-16(10)17(20)19-12-7-3-4-8-13(12)21-2/h3-9H,1-2H3,(H,19,20)
InChIKeyPIYOBMKEOGMDGT-UHFFFAOYSA-N
MW315.37 g/mol
LogP4.61
Rot. Bonds3

About 4-fluoro-N-(2-methoxyphenyl)-3-methyl-1-benzothiophene-2-carboxamide

4-fluoro-N-(2-methoxyphenyl)-3-methyl-1-benzothiophene-2-carboxamide (PubChem CID 8776982) has the molecular formula C17H14FNO2S and a molecular weight of 315.37 g/mol. Its IUPAC name is 4-fluoro-N-(2-methoxyphenyl)-3-methyl-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name4-fluoro-N-(2-methoxyphenyl)-3-methyl-1-benzothiophene-2-carboxamide
PubChem CID8776982
Molecular FormulaC17H14FNO2S
Molecular Weight315.37 g/mol
Exact Mass315.07
IUPAC Name4-fluoro-N-(2-methoxyphenyl)-3-methyl-1-benzothiophene-2-carboxamide
SMILESCOc1ccccc1NC(=O)c1sc2cccc(F)c2c1C
InChIInChI=1S/C17H14FNO2S/c1-10-15-11(18)6-5-9-14(15)22-16(10)17(20)19-12-7-3-4-8-13(12)21-2/h3-9H,1-2H3,(H,19,20)
InChIKeyPIYOBMKEOGMDGT-UHFFFAOYSA-N
XLogP4.61
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-(4-fluoro-2-methoxyphenyl)-3-methyl-1-benzothiophene-2-carboxamide
CID 33070425
4-fluoro-N-(2-fluorophenyl)-3-methyl-1-benzothiophene-2-carboxamide
CID 8777289
N-(2-chlorophenyl)-4-fluoro-3-methyl-1-benzothiophene-2-carboxamide
CID 8776857
4-fluoro-3-methyl-N-(2-thiophen-2-ylphenyl)-1-benzothiophene-2-carboxamide
CID 24568109
4-fluoro-N-(2-methoxyphenyl)-1-benzothiophene-2-carboxamide
CID 31509000
2-(2-fluoro-6-methoxyphenyl)-N-(2-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 42535275
4-fluoro-3-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]-1-benzothiophene-2-carboxamide
CID 41261795
3-amino-4-fluoro-N-(2-fluorophenyl)-1-benzothiophene-2-carboxamide
CID 79517181
3-chloro-4-fluoro-N-(2-fluorophenyl)-1-benzothiophene-2-carboxamide
CID 14872487
N'-benzoyl-4-fluoro-3-methyl-1-benzothiophene-2-carbohydrazide
CID 18196797
4-fluoro-3-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]-1-benzothiophene-2-carboxamide
CID 55674016
4-fluoro-N-(3-hydroxyphenyl)-3-methyl-1-benzothiophene-2-carboxamide
CID 78821511

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(2-methoxyphenyl)-3-methyl-1-benzothiophene-2-carboxamide?
The IUPAC name of 4-fluoro-N-(2-methoxyphenyl)-3-methyl-1-benzothiophene-2-carboxamide (CID 8776982) is 4-fluoro-N-(2-methoxyphenyl)-3-methyl-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 4-fluoro-N-(2-methoxyphenyl)-3-methyl-1-benzothiophene-2-carboxamide?
The canonical SMILES for 4-fluoro-N-(2-methoxyphenyl)-3-methyl-1-benzothiophene-2-carboxamide is COc1ccccc1NC(=O)c1sc2cccc(F)c2c1C.
What is the InChIKey of 4-fluoro-N-(2-methoxyphenyl)-3-methyl-1-benzothiophene-2-carboxamide?
The InChIKey is PIYOBMKEOGMDGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNO2S/c1-10-15-11(18)6-5-9-14(15)22-16(10)17(20)19-12-7-3-4-8-13(12)21-2/h3-9H,1-2H3,(H,19,20).
What are the key properties of 4-fluoro-N-(2-methoxyphenyl)-3-methyl-1-benzothiophene-2-carboxamide?
4-fluoro-N-(2-methoxyphenyl)-3-methyl-1-benzothiophene-2-carboxamide has a molecular weight of 315.37 g/mol, XLogP of 4.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(2-methoxyphenyl)-3-methyl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 8776982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).