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

C20H18FNO3S2 — CID 57068028

IUPAC4-(4-ethylsulfonylphenyl)-5-(4-fluorophenyl)-3-methylthiophene-2-carboxamide
SMILESCCS(=O)(=O)c1ccc(-c2c(-c3ccc(F)cc3)sc(C(N)=O)c2C)cc1
InChIInChI=1S/C20H18FNO3S2/c1-3-27(24,25)16-10-6-13(7-11-16)17-12(2)18(20(22)23)26-19(17)14-4-8-15(21)9-5-14/h4-11H,3H2,1-2H3,(H2,22,23)
InChIKeyHMFSHCYIFNQNKG-UHFFFAOYSA-N
MW403.50 g/mol
LogP4.42
Rot. Bonds5

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

4-(4-ethylsulfonylphenyl)-5-(4-fluorophenyl)-3-methylthiophene-2-carboxamide (PubChem CID 57068028) has the molecular formula C20H18FNO3S2 and a molecular weight of 403.50 g/mol. Its IUPAC name is 4-(4-ethylsulfonylphenyl)-5-(4-fluorophenyl)-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name4-(4-ethylsulfonylphenyl)-5-(4-fluorophenyl)-3-methylthiophene-2-carboxamide
PubChem CID57068028
Molecular FormulaC20H18FNO3S2
Molecular Weight403.50 g/mol
Exact Mass403.07
IUPAC Name4-(4-ethylsulfonylphenyl)-5-(4-fluorophenyl)-3-methylthiophene-2-carboxamide
SMILESCCS(=O)(=O)c1ccc(-c2c(-c3ccc(F)cc3)sc(C(N)=O)c2C)cc1
InChIInChI=1S/C20H18FNO3S2/c1-3-27(24,25)16-10-6-13(7-11-16)17-12(2)18(20(22)23)26-19(17)14-4-8-15(21)9-5-14/h4-11H,3H2,1-2H3,(H2,22,23)
InChIKeyHMFSHCYIFNQNKG-UHFFFAOYSA-N
XLogP4.42
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylsulfonylphenyl)-5-(4-fluorophenyl)-3-methylthiophene-2-carboxamide?
The IUPAC name of 4-(4-ethylsulfonylphenyl)-5-(4-fluorophenyl)-3-methylthiophene-2-carboxamide (CID 57068028) is 4-(4-ethylsulfonylphenyl)-5-(4-fluorophenyl)-3-methylthiophene-2-carboxamide.
What is the SMILES notation for 4-(4-ethylsulfonylphenyl)-5-(4-fluorophenyl)-3-methylthiophene-2-carboxamide?
The canonical SMILES for 4-(4-ethylsulfonylphenyl)-5-(4-fluorophenyl)-3-methylthiophene-2-carboxamide is CCS(=O)(=O)c1ccc(-c2c(-c3ccc(F)cc3)sc(C(N)=O)c2C)cc1.
What is the InChIKey of 4-(4-ethylsulfonylphenyl)-5-(4-fluorophenyl)-3-methylthiophene-2-carboxamide?
The InChIKey is HMFSHCYIFNQNKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FNO3S2/c1-3-27(24,25)16-10-6-13(7-11-16)17-12(2)18(20(22)23)26-19(17)14-4-8-15(21)9-5-14/h4-11H,3H2,1-2H3,(H2,22,23).
What are the key properties of 4-(4-ethylsulfonylphenyl)-5-(4-fluorophenyl)-3-methylthiophene-2-carboxamide?
4-(4-ethylsulfonylphenyl)-5-(4-fluorophenyl)-3-methylthiophene-2-carboxamide has a molecular weight of 403.50 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylsulfonylphenyl)-5-(4-fluorophenyl)-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 57068028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).