5-(4-fluorophenyl)-N-(3-hydroxyphenyl)thiophene-2-carboxamide

C17H12FNO2S — CID 78798255

IUPAC5-(4-fluorophenyl)-N-(3-hydroxyphenyl)thiophene-2-carboxamide
SMILESO=C(Nc1cccc(O)c1)c1ccc(-c2ccc(F)cc2)s1
InChIInChI=1S/C17H12FNO2S/c18-12-6-4-11(5-7-12)15-8-9-16(22-15)17(21)19-13-2-1-3-14(20)10-13/h1-10,20H,(H,19,21)
InChIKeyQSJGFMSZDJCXQN-UHFFFAOYSA-N
MW313.35 g/mol
LogP4.51
Rot. Bonds3

About 5-(4-fluorophenyl)-N-(3-hydroxyphenyl)thiophene-2-carboxamide

5-(4-fluorophenyl)-N-(3-hydroxyphenyl)thiophene-2-carboxamide (PubChem CID 78798255) has the molecular formula C17H12FNO2S and a molecular weight of 313.35 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-(3-hydroxyphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-(3-hydroxyphenyl)thiophene-2-carboxamide
PubChem CID78798255
Molecular FormulaC17H12FNO2S
Molecular Weight313.35 g/mol
Exact Mass313.06
IUPAC Name5-(4-fluorophenyl)-N-(3-hydroxyphenyl)thiophene-2-carboxamide
SMILESO=C(Nc1cccc(O)c1)c1ccc(-c2ccc(F)cc2)s1
InChIInChI=1S/C17H12FNO2S/c18-12-6-4-11(5-7-12)15-8-9-16(22-15)17(21)19-13-2-1-3-14(20)10-13/h1-10,20H,(H,19,21)
InChIKeyQSJGFMSZDJCXQN-UHFFFAOYSA-N
XLogP4.51
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-(3-hydroxyphenyl)thiophene-2-carboxamide?
The IUPAC name of 5-(4-fluorophenyl)-N-(3-hydroxyphenyl)thiophene-2-carboxamide (CID 78798255) is 5-(4-fluorophenyl)-N-(3-hydroxyphenyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-(4-fluorophenyl)-N-(3-hydroxyphenyl)thiophene-2-carboxamide?
The canonical SMILES for 5-(4-fluorophenyl)-N-(3-hydroxyphenyl)thiophene-2-carboxamide is O=C(Nc1cccc(O)c1)c1ccc(-c2ccc(F)cc2)s1.
What is the InChIKey of 5-(4-fluorophenyl)-N-(3-hydroxyphenyl)thiophene-2-carboxamide?
The InChIKey is QSJGFMSZDJCXQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FNO2S/c18-12-6-4-11(5-7-12)15-8-9-16(22-15)17(21)19-13-2-1-3-14(20)10-13/h1-10,20H,(H,19,21).
What are the key properties of 5-(4-fluorophenyl)-N-(3-hydroxyphenyl)thiophene-2-carboxamide?
5-(4-fluorophenyl)-N-(3-hydroxyphenyl)thiophene-2-carboxamide has a molecular weight of 313.35 g/mol, XLogP of 4.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N-(3-hydroxyphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 78798255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).