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

C19H16FNO3S — CID 56934479

IUPAC5-(2-fluoro-3-hydroxyphenyl)-N-[(3-hydroxyphenyl)methyl]-N-methylthiophene-2-carboxamide
SMILESCN(Cc1cccc(O)c1)C(=O)c1ccc(-c2cccc(O)c2F)s1
InChIInChI=1S/C19H16FNO3S/c1-21(11-12-4-2-5-13(22)10-12)19(24)17-9-8-16(25-17)14-6-3-7-15(23)18(14)20/h2-10,22-23H,11H2,1H3
InChIKeyPTACXVYOXGWZKS-UHFFFAOYSA-N
MW357.41 g/mol
LogP4.24
Rot. Bonds4

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

5-(2-fluoro-3-hydroxyphenyl)-N-[(3-hydroxyphenyl)methyl]-N-methylthiophene-2-carboxamide (PubChem CID 56934479) has the molecular formula C19H16FNO3S and a molecular weight of 357.41 g/mol. Its IUPAC name is 5-(2-fluoro-3-hydroxyphenyl)-N-[(3-hydroxyphenyl)methyl]-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-(2-fluoro-3-hydroxyphenyl)-N-[(3-hydroxyphenyl)methyl]-N-methylthiophene-2-carboxamide
PubChem CID56934479
Molecular FormulaC19H16FNO3S
Molecular Weight357.41 g/mol
Exact Mass357.08
IUPAC Name5-(2-fluoro-3-hydroxyphenyl)-N-[(3-hydroxyphenyl)methyl]-N-methylthiophene-2-carboxamide
SMILESCN(Cc1cccc(O)c1)C(=O)c1ccc(-c2cccc(O)c2F)s1
InChIInChI=1S/C19H16FNO3S/c1-21(11-12-4-2-5-13(22)10-12)19(24)17-9-8-16(25-17)14-6-3-7-15(23)18(14)20/h2-10,22-23H,11H2,1H3
InChIKeyPTACXVYOXGWZKS-UHFFFAOYSA-N
XLogP4.24
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoro-3-hydroxyphenyl)-N-[(3-hydroxyphenyl)methyl]-N-methylthiophene-2-carboxamide?
The IUPAC name of 5-(2-fluoro-3-hydroxyphenyl)-N-[(3-hydroxyphenyl)methyl]-N-methylthiophene-2-carboxamide (CID 56934479) is 5-(2-fluoro-3-hydroxyphenyl)-N-[(3-hydroxyphenyl)methyl]-N-methylthiophene-2-carboxamide.
What is the SMILES notation for 5-(2-fluoro-3-hydroxyphenyl)-N-[(3-hydroxyphenyl)methyl]-N-methylthiophene-2-carboxamide?
The canonical SMILES for 5-(2-fluoro-3-hydroxyphenyl)-N-[(3-hydroxyphenyl)methyl]-N-methylthiophene-2-carboxamide is CN(Cc1cccc(O)c1)C(=O)c1ccc(-c2cccc(O)c2F)s1.
What is the InChIKey of 5-(2-fluoro-3-hydroxyphenyl)-N-[(3-hydroxyphenyl)methyl]-N-methylthiophene-2-carboxamide?
The InChIKey is PTACXVYOXGWZKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FNO3S/c1-21(11-12-4-2-5-13(22)10-12)19(24)17-9-8-16(25-17)14-6-3-7-15(23)18(14)20/h2-10,22-23H,11H2,1H3.
What are the key properties of 5-(2-fluoro-3-hydroxyphenyl)-N-[(3-hydroxyphenyl)methyl]-N-methylthiophene-2-carboxamide?
5-(2-fluoro-3-hydroxyphenyl)-N-[(3-hydroxyphenyl)methyl]-N-methylthiophene-2-carboxamide has a molecular weight of 357.41 g/mol, XLogP of 4.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoro-3-hydroxyphenyl)-N-[(3-hydroxyphenyl)methyl]-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 56934479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).