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

C19H16FNO2S — CID 56934328

IUPAC5-(3-fluorophenyl)-N-[(3-hydroxyphenyl)methyl]-N-methylthiophene-2-carboxamide
SMILESCN(Cc1cccc(O)c1)C(=O)c1ccc(-c2cccc(F)c2)s1
InChIInChI=1S/C19H16FNO2S/c1-21(12-13-4-2-7-16(22)10-13)19(23)18-9-8-17(24-18)14-5-3-6-15(20)11-14/h2-11,22H,12H2,1H3
InChIKeyNJLPDMFCJNGUGV-UHFFFAOYSA-N
MW341.41 g/mol
LogP4.53
Rot. Bonds4

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

5-(3-fluorophenyl)-N-[(3-hydroxyphenyl)methyl]-N-methylthiophene-2-carboxamide (PubChem CID 56934328) has the molecular formula C19H16FNO2S and a molecular weight of 341.41 g/mol. Its IUPAC name is 5-(3-fluorophenyl)-N-[(3-hydroxyphenyl)methyl]-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-(3-fluorophenyl)-N-[(3-hydroxyphenyl)methyl]-N-methylthiophene-2-carboxamide
PubChem CID56934328
Molecular FormulaC19H16FNO2S
Molecular Weight341.41 g/mol
Exact Mass341.09
IUPAC Name5-(3-fluorophenyl)-N-[(3-hydroxyphenyl)methyl]-N-methylthiophene-2-carboxamide
SMILESCN(Cc1cccc(O)c1)C(=O)c1ccc(-c2cccc(F)c2)s1
InChIInChI=1S/C19H16FNO2S/c1-21(12-13-4-2-7-16(22)10-13)19(23)18-9-8-17(24-18)14-5-3-6-15(20)11-14/h2-11,22H,12H2,1H3
InChIKeyNJLPDMFCJNGUGV-UHFFFAOYSA-N
XLogP4.53
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenyl)-N-[(3-hydroxyphenyl)methyl]-N-methylthiophene-2-carboxamide?
The IUPAC name of 5-(3-fluorophenyl)-N-[(3-hydroxyphenyl)methyl]-N-methylthiophene-2-carboxamide (CID 56934328) is 5-(3-fluorophenyl)-N-[(3-hydroxyphenyl)methyl]-N-methylthiophene-2-carboxamide.
What is the SMILES notation for 5-(3-fluorophenyl)-N-[(3-hydroxyphenyl)methyl]-N-methylthiophene-2-carboxamide?
The canonical SMILES for 5-(3-fluorophenyl)-N-[(3-hydroxyphenyl)methyl]-N-methylthiophene-2-carboxamide is CN(Cc1cccc(O)c1)C(=O)c1ccc(-c2cccc(F)c2)s1.
What is the InChIKey of 5-(3-fluorophenyl)-N-[(3-hydroxyphenyl)methyl]-N-methylthiophene-2-carboxamide?
The InChIKey is NJLPDMFCJNGUGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FNO2S/c1-21(12-13-4-2-7-16(22)10-13)19(23)18-9-8-17(24-18)14-5-3-6-15(20)11-14/h2-11,22H,12H2,1H3.
What are the key properties of 5-(3-fluorophenyl)-N-[(3-hydroxyphenyl)methyl]-N-methylthiophene-2-carboxamide?
5-(3-fluorophenyl)-N-[(3-hydroxyphenyl)methyl]-N-methylthiophene-2-carboxamide has a molecular weight of 341.41 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenyl)-N-[(3-hydroxyphenyl)methyl]-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 56934328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).