5-(4-ethoxyphenyl)-N-[(3-fluorophenyl)methyl]thiophene-2-carboxamide

C20H18FNO2S — CID 46083105

IUPAC5-(4-ethoxyphenyl)-N-[(3-fluorophenyl)methyl]thiophene-2-carboxamide
SMILESCCOc1ccc(-c2ccc(C(=O)NCc3cccc(F)c3)s2)cc1
InChIInChI=1S/C20H18FNO2S/c1-2-24-17-8-6-15(7-9-17)18-10-11-19(25-18)20(23)22-13-14-4-3-5-16(21)12-14/h3-12H,2,13H2,1H3,(H,22,23)
InChIKeyHHUJELRFVMKPIM-UHFFFAOYSA-N
MW355.43 g/mol
LogP4.88
Rot. Bonds6

About 5-(4-ethoxyphenyl)-N-[(3-fluorophenyl)methyl]thiophene-2-carboxamide

5-(4-ethoxyphenyl)-N-[(3-fluorophenyl)methyl]thiophene-2-carboxamide (PubChem CID 46083105) has the molecular formula C20H18FNO2S and a molecular weight of 355.43 g/mol. Its IUPAC name is 5-(4-ethoxyphenyl)-N-[(3-fluorophenyl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(4-ethoxyphenyl)-N-[(3-fluorophenyl)methyl]thiophene-2-carboxamide
PubChem CID46083105
Molecular FormulaC20H18FNO2S
Molecular Weight355.43 g/mol
Exact Mass355.10
IUPAC Name5-(4-ethoxyphenyl)-N-[(3-fluorophenyl)methyl]thiophene-2-carboxamide
SMILESCCOc1ccc(-c2ccc(C(=O)NCc3cccc(F)c3)s2)cc1
InChIInChI=1S/C20H18FNO2S/c1-2-24-17-8-6-15(7-9-17)18-10-11-19(25-18)20(23)22-13-14-4-3-5-16(21)12-14/h3-12H,2,13H2,1H3,(H,22,23)
InChIKeyHHUJELRFVMKPIM-UHFFFAOYSA-N
XLogP4.88
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-ethoxyphenyl)-N-[(3-fluorophenyl)methyl]thiophene-2-carboxamide?
The IUPAC name of 5-(4-ethoxyphenyl)-N-[(3-fluorophenyl)methyl]thiophene-2-carboxamide (CID 46083105) is 5-(4-ethoxyphenyl)-N-[(3-fluorophenyl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-(4-ethoxyphenyl)-N-[(3-fluorophenyl)methyl]thiophene-2-carboxamide?
The canonical SMILES for 5-(4-ethoxyphenyl)-N-[(3-fluorophenyl)methyl]thiophene-2-carboxamide is CCOc1ccc(-c2ccc(C(=O)NCc3cccc(F)c3)s2)cc1.
What is the InChIKey of 5-(4-ethoxyphenyl)-N-[(3-fluorophenyl)methyl]thiophene-2-carboxamide?
The InChIKey is HHUJELRFVMKPIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FNO2S/c1-2-24-17-8-6-15(7-9-17)18-10-11-19(25-18)20(23)22-13-14-4-3-5-16(21)12-14/h3-12H,2,13H2,1H3,(H,22,23).
What are the key properties of 5-(4-ethoxyphenyl)-N-[(3-fluorophenyl)methyl]thiophene-2-carboxamide?
5-(4-ethoxyphenyl)-N-[(3-fluorophenyl)methyl]thiophene-2-carboxamide has a molecular weight of 355.43 g/mol, XLogP of 4.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethoxyphenyl)-N-[(3-fluorophenyl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 46083105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).