5-(4-cyanophenyl)-N-[(3-hydroxyphenyl)methyl]-N-methylthiophene-2-carboxamide

C20H16N2O2S — CID 56934323

IUPAC5-(4-cyanophenyl)-N-[(3-hydroxyphenyl)methyl]-N-methylthiophene-2-carboxamide
SMILESCN(Cc1cccc(O)c1)C(=O)c1ccc(-c2ccc(C#N)cc2)s1
InChIInChI=1S/C20H16N2O2S/c1-22(13-15-3-2-4-17(23)11-15)20(24)19-10-9-18(25-19)16-7-5-14(12-21)6-8-16/h2-11,23H,13H2,1H3
InChIKeyVDBQYKICFFRRDH-UHFFFAOYSA-N
MW348.43 g/mol
LogP4.26
Rot. Bonds4

About 5-(4-cyanophenyl)-N-[(3-hydroxyphenyl)methyl]-N-methylthiophene-2-carboxamide

5-(4-cyanophenyl)-N-[(3-hydroxyphenyl)methyl]-N-methylthiophene-2-carboxamide (PubChem CID 56934323) has the molecular formula C20H16N2O2S and a molecular weight of 348.43 g/mol. Its IUPAC name is 5-(4-cyanophenyl)-N-[(3-hydroxyphenyl)methyl]-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-(4-cyanophenyl)-N-[(3-hydroxyphenyl)methyl]-N-methylthiophene-2-carboxamide
PubChem CID56934323
Molecular FormulaC20H16N2O2S
Molecular Weight348.43 g/mol
Exact Mass348.09
IUPAC Name5-(4-cyanophenyl)-N-[(3-hydroxyphenyl)methyl]-N-methylthiophene-2-carboxamide
SMILESCN(Cc1cccc(O)c1)C(=O)c1ccc(-c2ccc(C#N)cc2)s1
InChIInChI=1S/C20H16N2O2S/c1-22(13-15-3-2-4-17(23)11-15)20(24)19-10-9-18(25-19)16-7-5-14(12-21)6-8-16/h2-11,23H,13H2,1H3
InChIKeyVDBQYKICFFRRDH-UHFFFAOYSA-N
XLogP4.26
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-cyanophenyl)-N-[(3-hydroxyphenyl)methyl]-N-methylthiophene-2-carboxamide?
The IUPAC name of 5-(4-cyanophenyl)-N-[(3-hydroxyphenyl)methyl]-N-methylthiophene-2-carboxamide (CID 56934323) is 5-(4-cyanophenyl)-N-[(3-hydroxyphenyl)methyl]-N-methylthiophene-2-carboxamide.
What is the SMILES notation for 5-(4-cyanophenyl)-N-[(3-hydroxyphenyl)methyl]-N-methylthiophene-2-carboxamide?
The canonical SMILES for 5-(4-cyanophenyl)-N-[(3-hydroxyphenyl)methyl]-N-methylthiophene-2-carboxamide is CN(Cc1cccc(O)c1)C(=O)c1ccc(-c2ccc(C#N)cc2)s1.
What is the InChIKey of 5-(4-cyanophenyl)-N-[(3-hydroxyphenyl)methyl]-N-methylthiophene-2-carboxamide?
The InChIKey is VDBQYKICFFRRDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O2S/c1-22(13-15-3-2-4-17(23)11-15)20(24)19-10-9-18(25-19)16-7-5-14(12-21)6-8-16/h2-11,23H,13H2,1H3.
What are the key properties of 5-(4-cyanophenyl)-N-[(3-hydroxyphenyl)methyl]-N-methylthiophene-2-carboxamide?
5-(4-cyanophenyl)-N-[(3-hydroxyphenyl)methyl]-N-methylthiophene-2-carboxamide has a molecular weight of 348.43 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-cyanophenyl)-N-[(3-hydroxyphenyl)methyl]-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 56934323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).