5-(4-fluorophenyl)-4-(4-methoxyphenyl)-N,N-dimethylthiophene-2-carboxamide

C20H18FNO2S — CID 23372721

IUPAC5-(4-fluorophenyl)-4-(4-methoxyphenyl)-N,N-dimethylthiophene-2-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)N(C)C)sc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C20H18FNO2S/c1-22(2)20(23)18-12-17(13-6-10-16(24-3)11-7-13)19(25-18)14-4-8-15(21)9-5-14/h4-12H,1-3H3
InChIKeyWMUCUZZDVPFJIW-UHFFFAOYSA-N
MW355.43 g/mol
LogP4.93
Rot. Bonds4

About 5-(4-fluorophenyl)-4-(4-methoxyphenyl)-N,N-dimethylthiophene-2-carboxamide

5-(4-fluorophenyl)-4-(4-methoxyphenyl)-N,N-dimethylthiophene-2-carboxamide (PubChem CID 23372721) has the molecular formula C20H18FNO2S and a molecular weight of 355.43 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-4-(4-methoxyphenyl)-N,N-dimethylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-4-(4-methoxyphenyl)-N,N-dimethylthiophene-2-carboxamide
PubChem CID23372721
Molecular FormulaC20H18FNO2S
Molecular Weight355.43 g/mol
Exact Mass355.10
IUPAC Name5-(4-fluorophenyl)-4-(4-methoxyphenyl)-N,N-dimethylthiophene-2-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)N(C)C)sc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C20H18FNO2S/c1-22(2)20(23)18-12-17(13-6-10-16(24-3)11-7-13)19(25-18)14-4-8-15(21)9-5-14/h4-12H,1-3H3
InChIKeyWMUCUZZDVPFJIW-UHFFFAOYSA-N
XLogP4.93
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-4-(4-methoxyphenyl)-N,N-dimethylthiophene-2-carboxamide?
The IUPAC name of 5-(4-fluorophenyl)-4-(4-methoxyphenyl)-N,N-dimethylthiophene-2-carboxamide (CID 23372721) is 5-(4-fluorophenyl)-4-(4-methoxyphenyl)-N,N-dimethylthiophene-2-carboxamide.
What is the SMILES notation for 5-(4-fluorophenyl)-4-(4-methoxyphenyl)-N,N-dimethylthiophene-2-carboxamide?
The canonical SMILES for 5-(4-fluorophenyl)-4-(4-methoxyphenyl)-N,N-dimethylthiophene-2-carboxamide is COc1ccc(-c2cc(C(=O)N(C)C)sc2-c2ccc(F)cc2)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-4-(4-methoxyphenyl)-N,N-dimethylthiophene-2-carboxamide?
The InChIKey is WMUCUZZDVPFJIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FNO2S/c1-22(2)20(23)18-12-17(13-6-10-16(24-3)11-7-13)19(25-18)14-4-8-15(21)9-5-14/h4-12H,1-3H3.
What are the key properties of 5-(4-fluorophenyl)-4-(4-methoxyphenyl)-N,N-dimethylthiophene-2-carboxamide?
5-(4-fluorophenyl)-4-(4-methoxyphenyl)-N,N-dimethylthiophene-2-carboxamide has a molecular weight of 355.43 g/mol, XLogP of 4.93, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-4-(4-methoxyphenyl)-N,N-dimethylthiophene-2-carboxamide is sourced from PubChem (CID 23372721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).