5-(4-fluorophenyl)-4-(4-methoxyphenyl)-3-methylthiophene-2-carboxamide

C19H16FNO2S — CID 57302374

IUPAC5-(4-fluorophenyl)-4-(4-methoxyphenyl)-3-methylthiophene-2-carboxamide
SMILESCOc1ccc(-c2c(-c3ccc(F)cc3)sc(C(N)=O)c2C)cc1
InChIInChI=1S/C19H16FNO2S/c1-11-16(12-5-9-15(23-2)10-6-12)18(24-17(11)19(21)22)13-3-7-14(20)8-4-13/h3-10H,1-2H3,(H2,21,22)
InChIKeyLJJMQVHPYCHHMY-UHFFFAOYSA-N
MW341.41 g/mol
LogP4.64
Rot. Bonds4

About 5-(4-fluorophenyl)-4-(4-methoxyphenyl)-3-methylthiophene-2-carboxamide

5-(4-fluorophenyl)-4-(4-methoxyphenyl)-3-methylthiophene-2-carboxamide (PubChem CID 57302374) has the molecular formula C19H16FNO2S and a molecular weight of 341.41 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-4-(4-methoxyphenyl)-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-4-(4-methoxyphenyl)-3-methylthiophene-2-carboxamide
PubChem CID57302374
Molecular FormulaC19H16FNO2S
Molecular Weight341.41 g/mol
Exact Mass341.09
IUPAC Name5-(4-fluorophenyl)-4-(4-methoxyphenyl)-3-methylthiophene-2-carboxamide
SMILESCOc1ccc(-c2c(-c3ccc(F)cc3)sc(C(N)=O)c2C)cc1
InChIInChI=1S/C19H16FNO2S/c1-11-16(12-5-9-15(23-2)10-6-12)18(24-17(11)19(21)22)13-3-7-14(20)8-4-13/h3-10H,1-2H3,(H2,21,22)
InChIKeyLJJMQVHPYCHHMY-UHFFFAOYSA-N
XLogP4.64
TPSA52.32 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 ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-4-(4-methoxyphenyl)-3-methylthiophene-2-carboxamide?
The IUPAC name of 5-(4-fluorophenyl)-4-(4-methoxyphenyl)-3-methylthiophene-2-carboxamide (CID 57302374) is 5-(4-fluorophenyl)-4-(4-methoxyphenyl)-3-methylthiophene-2-carboxamide.
What is the SMILES notation for 5-(4-fluorophenyl)-4-(4-methoxyphenyl)-3-methylthiophene-2-carboxamide?
The canonical SMILES for 5-(4-fluorophenyl)-4-(4-methoxyphenyl)-3-methylthiophene-2-carboxamide is COc1ccc(-c2c(-c3ccc(F)cc3)sc(C(N)=O)c2C)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-4-(4-methoxyphenyl)-3-methylthiophene-2-carboxamide?
The InChIKey is LJJMQVHPYCHHMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FNO2S/c1-11-16(12-5-9-15(23-2)10-6-12)18(24-17(11)19(21)22)13-3-7-14(20)8-4-13/h3-10H,1-2H3,(H2,21,22).
What are the key properties of 5-(4-fluorophenyl)-4-(4-methoxyphenyl)-3-methylthiophene-2-carboxamide?
5-(4-fluorophenyl)-4-(4-methoxyphenyl)-3-methylthiophene-2-carboxamide has a molecular weight of 341.41 g/mol, XLogP of 4.64, 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)-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 57302374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).