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

C17H13F2NO2S — CID 33070425

IUPAC4-fluoro-N-(4-fluoro-2-methoxyphenyl)-3-methyl-1-benzothiophene-2-carboxamide
SMILESCOc1cc(F)ccc1NC(=O)c1sc2cccc(F)c2c1C
InChIInChI=1S/C17H13F2NO2S/c1-9-15-11(19)4-3-5-14(15)23-16(9)17(21)20-12-7-6-10(18)8-13(12)22-2/h3-8H,1-2H3,(H,20,21)
InChIKeyCHAAKYQIRCJDDW-UHFFFAOYSA-N
MW333.36 g/mol
LogP4.75
Rot. Bonds3

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

4-fluoro-N-(4-fluoro-2-methoxyphenyl)-3-methyl-1-benzothiophene-2-carboxamide (PubChem CID 33070425) has the molecular formula C17H13F2NO2S and a molecular weight of 333.36 g/mol. Its IUPAC name is 4-fluoro-N-(4-fluoro-2-methoxyphenyl)-3-methyl-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name4-fluoro-N-(4-fluoro-2-methoxyphenyl)-3-methyl-1-benzothiophene-2-carboxamide
PubChem CID33070425
Molecular FormulaC17H13F2NO2S
Molecular Weight333.36 g/mol
Exact Mass333.06
IUPAC Name4-fluoro-N-(4-fluoro-2-methoxyphenyl)-3-methyl-1-benzothiophene-2-carboxamide
SMILESCOc1cc(F)ccc1NC(=O)c1sc2cccc(F)c2c1C
InChIInChI=1S/C17H13F2NO2S/c1-9-15-11(19)4-3-5-14(15)23-16(9)17(21)20-12-7-6-10(18)8-13(12)22-2/h3-8H,1-2H3,(H,20,21)
InChIKeyCHAAKYQIRCJDDW-UHFFFAOYSA-N
XLogP4.75
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-(2-methoxyphenyl)-3-methyl-1-benzothiophene-2-carboxamide
CID 8776982
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-[(3,4,5-trimethoxyphenyl)methyl]-1-benzothiophene-2-carboxamide
CID 41261795
4-fluoro-N-(3-hydroxyphenyl)-3-methyl-1-benzothiophene-2-carboxamide
CID 78821511
4-fluoro-N-(2-fluoro-5-nitrophenyl)-3-methyl-1-benzothiophene-2-carboxamide
CID 60592753
4-fluoro-N-[3-[(2-methoxyacetyl)amino]phenyl]-3-methyl-1-benzothiophene-2-carboxamide
CID 55567162
4-fluoro-3-methyl-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-1-benzothiophene-2-carboxamide
CID 55764838
4-fluoro-3-methyl-N-(2-thiophen-2-ylphenyl)-1-benzothiophene-2-carboxamide
CID 24568109
N-(3,4-dipropoxyphenyl)-4-fluoro-3-methyl-1-benzothiophene-2-carboxamide
CID 18269502
4-fluoro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-methyl-1-benzothiophene-2-carboxamide
CID 103895373
N-cyclopentyl-4-fluoro-3-methyl-1-benzothiophene-2-carboxamide
CID 26721964

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(4-fluoro-2-methoxyphenyl)-3-methyl-1-benzothiophene-2-carboxamide?
The IUPAC name of 4-fluoro-N-(4-fluoro-2-methoxyphenyl)-3-methyl-1-benzothiophene-2-carboxamide (CID 33070425) is 4-fluoro-N-(4-fluoro-2-methoxyphenyl)-3-methyl-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 4-fluoro-N-(4-fluoro-2-methoxyphenyl)-3-methyl-1-benzothiophene-2-carboxamide?
The canonical SMILES for 4-fluoro-N-(4-fluoro-2-methoxyphenyl)-3-methyl-1-benzothiophene-2-carboxamide is COc1cc(F)ccc1NC(=O)c1sc2cccc(F)c2c1C.
What is the InChIKey of 4-fluoro-N-(4-fluoro-2-methoxyphenyl)-3-methyl-1-benzothiophene-2-carboxamide?
The InChIKey is CHAAKYQIRCJDDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2NO2S/c1-9-15-11(19)4-3-5-14(15)23-16(9)17(21)20-12-7-6-10(18)8-13(12)22-2/h3-8H,1-2H3,(H,20,21).
What are the key properties of 4-fluoro-N-(4-fluoro-2-methoxyphenyl)-3-methyl-1-benzothiophene-2-carboxamide?
4-fluoro-N-(4-fluoro-2-methoxyphenyl)-3-methyl-1-benzothiophene-2-carboxamide has a molecular weight of 333.36 g/mol, XLogP of 4.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(4-fluoro-2-methoxyphenyl)-3-methyl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 33070425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).