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

C20H18FNOS2 — CID 23372775

IUPAC4-(4-ethylsulfanylphenyl)-5-(4-fluorophenyl)-N-methylthiophene-2-carboxamide
SMILESCCSc1ccc(-c2cc(C(=O)NC)sc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C20H18FNOS2/c1-3-24-16-10-6-13(7-11-16)17-12-18(20(23)22-2)25-19(17)14-4-8-15(21)9-5-14/h4-12H,3H2,1-2H3,(H,22,23)
InChIKeyVIPOONOJHIZVNP-UHFFFAOYSA-N
MW371.50 g/mol
LogP5.69
Rot. Bonds5

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

4-(4-ethylsulfanylphenyl)-5-(4-fluorophenyl)-N-methylthiophene-2-carboxamide (PubChem CID 23372775) has the molecular formula C20H18FNOS2 and a molecular weight of 371.50 g/mol. Its IUPAC name is 4-(4-ethylsulfanylphenyl)-5-(4-fluorophenyl)-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name4-(4-ethylsulfanylphenyl)-5-(4-fluorophenyl)-N-methylthiophene-2-carboxamide
PubChem CID23372775
Molecular FormulaC20H18FNOS2
Molecular Weight371.50 g/mol
Exact Mass371.08
IUPAC Name4-(4-ethylsulfanylphenyl)-5-(4-fluorophenyl)-N-methylthiophene-2-carboxamide
SMILESCCSc1ccc(-c2cc(C(=O)NC)sc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C20H18FNOS2/c1-3-24-16-10-6-13(7-11-16)17-12-18(20(23)22-2)25-19(17)14-4-8-15(21)9-5-14/h4-12H,3H2,1-2H3,(H,22,23)
InChIKeyVIPOONOJHIZVNP-UHFFFAOYSA-N
XLogP5.69
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.50
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylsulfanylphenyl)-5-(4-fluorophenyl)-N-methylthiophene-2-carboxamide?
The IUPAC name of 4-(4-ethylsulfanylphenyl)-5-(4-fluorophenyl)-N-methylthiophene-2-carboxamide (CID 23372775) is 4-(4-ethylsulfanylphenyl)-5-(4-fluorophenyl)-N-methylthiophene-2-carboxamide.
What is the SMILES notation for 4-(4-ethylsulfanylphenyl)-5-(4-fluorophenyl)-N-methylthiophene-2-carboxamide?
The canonical SMILES for 4-(4-ethylsulfanylphenyl)-5-(4-fluorophenyl)-N-methylthiophene-2-carboxamide is CCSc1ccc(-c2cc(C(=O)NC)sc2-c2ccc(F)cc2)cc1.
What is the InChIKey of 4-(4-ethylsulfanylphenyl)-5-(4-fluorophenyl)-N-methylthiophene-2-carboxamide?
The InChIKey is VIPOONOJHIZVNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FNOS2/c1-3-24-16-10-6-13(7-11-16)17-12-18(20(23)22-2)25-19(17)14-4-8-15(21)9-5-14/h4-12H,3H2,1-2H3,(H,22,23).
What are the key properties of 4-(4-ethylsulfanylphenyl)-5-(4-fluorophenyl)-N-methylthiophene-2-carboxamide?
4-(4-ethylsulfanylphenyl)-5-(4-fluorophenyl)-N-methylthiophene-2-carboxamide has a molecular weight of 371.50 g/mol, XLogP of 5.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylsulfanylphenyl)-5-(4-fluorophenyl)-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 23372775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).