4-fluoro-3-methyl-N-[4-(3-methylphenoxy)phenyl]-1-benzothiophene-2-carboxamide

C23H18FNO2S — CID 7603352

IUPAC4-fluoro-3-methyl-N-[4-(3-methylphenoxy)phenyl]-1-benzothiophene-2-carboxamide
SMILESCc1cccc(Oc2ccc(NC(=O)c3sc4cccc(F)c4c3C)cc2)c1
InChIInChI=1S/C23H18FNO2S/c1-14-5-3-6-18(13-14)27-17-11-9-16(10-12-17)25-23(26)22-15(2)21-19(24)7-4-8-20(21)28-22/h3-13H,1-2H3,(H,25,26)
InChIKeyQYWIZXSBRRCRRM-UHFFFAOYSA-N
MW391.47 g/mol
LogP6.70
Rot. Bonds4

About 4-fluoro-3-methyl-N-[4-(3-methylphenoxy)phenyl]-1-benzothiophene-2-carboxamide

4-fluoro-3-methyl-N-[4-(3-methylphenoxy)phenyl]-1-benzothiophene-2-carboxamide (PubChem CID 7603352) has the molecular formula C23H18FNO2S and a molecular weight of 391.47 g/mol. Its IUPAC name is 4-fluoro-3-methyl-N-[4-(3-methylphenoxy)phenyl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name4-fluoro-3-methyl-N-[4-(3-methylphenoxy)phenyl]-1-benzothiophene-2-carboxamide
PubChem CID7603352
Molecular FormulaC23H18FNO2S
Molecular Weight391.47 g/mol
Exact Mass391.10
IUPAC Name4-fluoro-3-methyl-N-[4-(3-methylphenoxy)phenyl]-1-benzothiophene-2-carboxamide
SMILESCc1cccc(Oc2ccc(NC(=O)c3sc4cccc(F)c4c3C)cc2)c1
InChIInChI=1S/C23H18FNO2S/c1-14-5-3-6-18(13-14)27-17-11-9-16(10-12-17)25-23(26)22-15(2)21-19(24)7-4-8-20(21)28-22/h3-13H,1-2H3,(H,25,26)
InChIKeyQYWIZXSBRRCRRM-UHFFFAOYSA-N
XLogP6.70
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.47
LogP ≤ 56.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-(3-hydroxyphenyl)-3-methyl-1-benzothiophene-2-carboxamide
CID 78821511
4-fluoro-N-[4-(3-methylphenoxy)phenyl]benzamide
CID 2114068
4-fluoro-3-methyl-N-pyridin-3-yl-1-benzothiophene-2-carboxamide
CID 26817295
4-fluoro-N-[3-[(2-methoxyacetyl)amino]phenyl]-3-methyl-1-benzothiophene-2-carboxamide
CID 55567162
4-fluoro-N-(2-fluorophenyl)-3-methyl-1-benzothiophene-2-carboxamide
CID 8777289
N-(3,4-dipropoxyphenyl)-4-fluoro-3-methyl-1-benzothiophene-2-carboxamide
CID 18269502
N-(4-chlorophenyl)-4-(3-methylphenoxy)benzamide
CID 16650944
4-fluoro-3-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]-1-benzothiophene-2-carboxamide
CID 28545025
N-(4-acetylphenyl)-4-(3-methylphenoxy)benzamide
CID 16650962
4-fluoro-N-(2-hydroxyethyl)-3-methyl-1-benzothiophene-2-carboxamide
CID 43393128
(E)-3-(2-fluorophenyl)-N-[4-(3-methylphenoxy)phenyl]prop-2-enamide
CID 7925007
4-fluoro-N-(2-methoxyphenyl)-3-methyl-1-benzothiophene-2-carboxamide
CID 8776982

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methyl-N-[4-(3-methylphenoxy)phenyl]-1-benzothiophene-2-carboxamide?
The IUPAC name of 4-fluoro-3-methyl-N-[4-(3-methylphenoxy)phenyl]-1-benzothiophene-2-carboxamide (CID 7603352) is 4-fluoro-3-methyl-N-[4-(3-methylphenoxy)phenyl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 4-fluoro-3-methyl-N-[4-(3-methylphenoxy)phenyl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for 4-fluoro-3-methyl-N-[4-(3-methylphenoxy)phenyl]-1-benzothiophene-2-carboxamide is Cc1cccc(Oc2ccc(NC(=O)c3sc4cccc(F)c4c3C)cc2)c1.
What is the InChIKey of 4-fluoro-3-methyl-N-[4-(3-methylphenoxy)phenyl]-1-benzothiophene-2-carboxamide?
The InChIKey is QYWIZXSBRRCRRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FNO2S/c1-14-5-3-6-18(13-14)27-17-11-9-16(10-12-17)25-23(26)22-15(2)21-19(24)7-4-8-20(21)28-22/h3-13H,1-2H3,(H,25,26).
What are the key properties of 4-fluoro-3-methyl-N-[4-(3-methylphenoxy)phenyl]-1-benzothiophene-2-carboxamide?
4-fluoro-3-methyl-N-[4-(3-methylphenoxy)phenyl]-1-benzothiophene-2-carboxamide has a molecular weight of 391.47 g/mol, XLogP of 6.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methyl-N-[4-(3-methylphenoxy)phenyl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 7603352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).