5-(4-fluorophenyl)-4-(4-methoxyphenyl)-N-methylthiophene-2-carboxamide

C19H16FNO2S — CID 23372838

IUPAC5-(4-fluorophenyl)-4-(4-methoxyphenyl)-N-methylthiophene-2-carboxamide
SMILESCNC(=O)c1cc(-c2ccc(OC)cc2)c(-c2ccc(F)cc2)s1
InChIInChI=1S/C19H16FNO2S/c1-21-19(22)17-11-16(12-5-9-15(23-2)10-6-12)18(24-17)13-3-7-14(20)8-4-13/h3-11H,1-2H3,(H,21,22)
InChIKeyQMTOTMCWPUEZDO-UHFFFAOYSA-N
MW341.41 g/mol
LogP4.59
Rot. Bonds4

About 5-(4-fluorophenyl)-4-(4-methoxyphenyl)-N-methylthiophene-2-carboxamide

5-(4-fluorophenyl)-4-(4-methoxyphenyl)-N-methylthiophene-2-carboxamide (PubChem CID 23372838) has the molecular formula C19H16FNO2S and a molecular weight of 341.41 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-4-(4-methoxyphenyl)-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-4-(4-methoxyphenyl)-N-methylthiophene-2-carboxamide
PubChem CID23372838
Molecular FormulaC19H16FNO2S
Molecular Weight341.41 g/mol
Exact Mass341.09
IUPAC Name5-(4-fluorophenyl)-4-(4-methoxyphenyl)-N-methylthiophene-2-carboxamide
SMILESCNC(=O)c1cc(-c2ccc(OC)cc2)c(-c2ccc(F)cc2)s1
InChIInChI=1S/C19H16FNO2S/c1-21-19(22)17-11-16(12-5-9-15(23-2)10-6-12)18(24-17)13-3-7-14(20)8-4-13/h3-11H,1-2H3,(H,21,22)
InChIKeyQMTOTMCWPUEZDO-UHFFFAOYSA-N
XLogP4.59
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-(4-fluorophenyl)-4-(4-methoxyphenyl)thiophen-2-yl]ethanone
CID 23372664
5-(4-methoxyphenyl)-N,N-dimethyl-4-(4-methylsulfanylphenyl)thiophene-2-carboxamide
CID 23372701
4-[5-(4-fluorophenyl)-4-(4-methoxyphenyl)thiophen-2-yl]-N-hydroxy-N-methylbutanamide
CID 59704063
4-(4-methoxyphenyl)-5-methyl-N-propan-2-ylthiophene-2-carboxamide
CID 78773588
4-(4-fluorophenyl)-5-(4-methylsulfanylphenyl)thiophene-2-carboxylic acid
CID 23372750
ethyl 5-(4-fluorophenyl)-4-phenylthiophene-2-carboxylate
CID 131954949
N-(4-fluorophenyl)-7-methoxy-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide
CID 7947383
1-[2-(4-fluorophenyl)-5-methoxyphenyl]ethanone
CID 175647071
2-(4-fluorophenyl)-5-methoxybenzoic acid
CID 15461737
3-(4-fluorophenyl)-N-methyl-7-propan-2-yloxynaphthalene-2-carboxamide
CID 143141519
5-(4-fluorophenyl)-4-(4-methoxyphenyl)-3-methylthiophene-2-carboxamide
CID 57302374
4-(4-methoxyphenyl)-5-methyl-N-[2-(methylamino)propyl]thiophene-2-carboxamide;hydrochloride
CID 120831426

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-4-(4-methoxyphenyl)-N-methylthiophene-2-carboxamide?
The IUPAC name of 5-(4-fluorophenyl)-4-(4-methoxyphenyl)-N-methylthiophene-2-carboxamide (CID 23372838) is 5-(4-fluorophenyl)-4-(4-methoxyphenyl)-N-methylthiophene-2-carboxamide.
What is the SMILES notation for 5-(4-fluorophenyl)-4-(4-methoxyphenyl)-N-methylthiophene-2-carboxamide?
The canonical SMILES for 5-(4-fluorophenyl)-4-(4-methoxyphenyl)-N-methylthiophene-2-carboxamide is CNC(=O)c1cc(-c2ccc(OC)cc2)c(-c2ccc(F)cc2)s1.
What is the InChIKey of 5-(4-fluorophenyl)-4-(4-methoxyphenyl)-N-methylthiophene-2-carboxamide?
The InChIKey is QMTOTMCWPUEZDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FNO2S/c1-21-19(22)17-11-16(12-5-9-15(23-2)10-6-12)18(24-17)13-3-7-14(20)8-4-13/h3-11H,1-2H3,(H,21,22).
What are the key properties of 5-(4-fluorophenyl)-4-(4-methoxyphenyl)-N-methylthiophene-2-carboxamide?
5-(4-fluorophenyl)-4-(4-methoxyphenyl)-N-methylthiophene-2-carboxamide has a molecular weight of 341.41 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-4-(4-methoxyphenyl)-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 23372838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).