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

C19H17NO3S — CID 56934038

IUPAC5-(3-hydroxyphenyl)-N-[(3-hydroxyphenyl)methyl]-N-methylthiophene-2-carboxamide
SMILESCN(Cc1cccc(O)c1)C(=O)c1ccc(-c2cccc(O)c2)s1
InChIInChI=1S/C19H17NO3S/c1-20(12-13-4-2-6-15(21)10-13)19(23)18-9-8-17(24-18)14-5-3-7-16(22)11-14/h2-11,21-22H,12H2,1H3
InChIKeyPPYYONRHNSUCHZ-UHFFFAOYSA-N
MW339.42 g/mol
LogP4.10
Rot. Bonds4

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

5-(3-hydroxyphenyl)-N-[(3-hydroxyphenyl)methyl]-N-methylthiophene-2-carboxamide (PubChem CID 56934038) has the molecular formula C19H17NO3S and a molecular weight of 339.42 g/mol. Its IUPAC name is 5-(3-hydroxyphenyl)-N-[(3-hydroxyphenyl)methyl]-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-(3-hydroxyphenyl)-N-[(3-hydroxyphenyl)methyl]-N-methylthiophene-2-carboxamide
PubChem CID56934038
Molecular FormulaC19H17NO3S
Molecular Weight339.42 g/mol
Exact Mass339.09
IUPAC Name5-(3-hydroxyphenyl)-N-[(3-hydroxyphenyl)methyl]-N-methylthiophene-2-carboxamide
SMILESCN(Cc1cccc(O)c1)C(=O)c1ccc(-c2cccc(O)c2)s1
InChIInChI=1S/C19H17NO3S/c1-20(12-13-4-2-6-15(21)10-13)19(23)18-9-8-17(24-18)14-5-3-7-16(22)11-14/h2-11,21-22H,12H2,1H3
InChIKeyPPYYONRHNSUCHZ-UHFFFAOYSA-N
XLogP4.10
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-hydroxyphenyl)-N-[(3-hydroxyphenyl)methyl]-N-methylthiophene-2-carboxamide?
The IUPAC name of 5-(3-hydroxyphenyl)-N-[(3-hydroxyphenyl)methyl]-N-methylthiophene-2-carboxamide (CID 56934038) is 5-(3-hydroxyphenyl)-N-[(3-hydroxyphenyl)methyl]-N-methylthiophene-2-carboxamide.
What is the SMILES notation for 5-(3-hydroxyphenyl)-N-[(3-hydroxyphenyl)methyl]-N-methylthiophene-2-carboxamide?
The canonical SMILES for 5-(3-hydroxyphenyl)-N-[(3-hydroxyphenyl)methyl]-N-methylthiophene-2-carboxamide is CN(Cc1cccc(O)c1)C(=O)c1ccc(-c2cccc(O)c2)s1.
What is the InChIKey of 5-(3-hydroxyphenyl)-N-[(3-hydroxyphenyl)methyl]-N-methylthiophene-2-carboxamide?
The InChIKey is PPYYONRHNSUCHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO3S/c1-20(12-13-4-2-6-15(21)10-13)19(23)18-9-8-17(24-18)14-5-3-7-16(22)11-14/h2-11,21-22H,12H2,1H3.
What are the key properties of 5-(3-hydroxyphenyl)-N-[(3-hydroxyphenyl)methyl]-N-methylthiophene-2-carboxamide?
5-(3-hydroxyphenyl)-N-[(3-hydroxyphenyl)methyl]-N-methylthiophene-2-carboxamide has a molecular weight of 339.42 g/mol, XLogP of 4.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-hydroxyphenyl)-N-[(3-hydroxyphenyl)methyl]-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 56934038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).