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

C19H17NO3S — CID 56934042

IUPAC5-(2-hydroxyphenyl)-N-[(3-hydroxyphenyl)methyl]-N-methylthiophene-2-carboxamide
SMILESCN(Cc1cccc(O)c1)C(=O)c1ccc(-c2ccccc2O)s1
InChIInChI=1S/C19H17NO3S/c1-20(12-13-5-4-6-14(21)11-13)19(23)18-10-9-17(24-18)15-7-2-3-8-16(15)22/h2-11,21-22H,12H2,1H3
InChIKeyVFBPLSZZYSKPBA-UHFFFAOYSA-N
MW339.42 g/mol
LogP4.10
Rot. Bonds4

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

5-(2-hydroxyphenyl)-N-[(3-hydroxyphenyl)methyl]-N-methylthiophene-2-carboxamide (PubChem CID 56934042) has the molecular formula C19H17NO3S and a molecular weight of 339.42 g/mol. Its IUPAC name is 5-(2-hydroxyphenyl)-N-[(3-hydroxyphenyl)methyl]-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-(2-hydroxyphenyl)-N-[(3-hydroxyphenyl)methyl]-N-methylthiophene-2-carboxamide
PubChem CID56934042
Molecular FormulaC19H17NO3S
Molecular Weight339.42 g/mol
Exact Mass339.09
IUPAC Name5-(2-hydroxyphenyl)-N-[(3-hydroxyphenyl)methyl]-N-methylthiophene-2-carboxamide
SMILESCN(Cc1cccc(O)c1)C(=O)c1ccc(-c2ccccc2O)s1
InChIInChI=1S/C19H17NO3S/c1-20(12-13-5-4-6-14(21)11-13)19(23)18-10-9-17(24-18)15-7-2-3-8-16(15)22/h2-11,21-22H,12H2,1H3
InChIKeyVFBPLSZZYSKPBA-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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Related Compounds

N-Ethyl-4-[(3-hydroxy-phenyl)-(8-thiophen-2-ylmethyl-8-aza-bicyclo[3.2.1]oct-3-ylidene)-methyl]-benzamide
CID 11259665
2-(4-((4-(2''-Hydroxybiphenyl-4-yl)thiophene-2-carboxamido)methyl)phenyl)acetic acid
CID 54582221
5-(2-Fluoro-3-methoxyphenyl)-N-(3-hydroxybenzyl)-N-methylthiophene-2-carboxamide
CID 56649596
N-(3-Methoxybenzyl)-5-(3-methoxyphenyl)-N-methylthiophene-2-carboxamide
CID 56934037
5-(3-hydroxyphenyl)-N-[(3-hydroxyphenyl)methyl]-N-methylthiophene-2-carboxamide
CID 56934038
N-(3-Methoxybenzyl)-5-(4-methoxyphenyl)-N-methylthiophene-2-carboxamide
CID 56934039
5-(4-hydroxyphenyl)-N-[(3-hydroxyphenyl)methyl]-N-methylthiophene-2-carboxamide
CID 56934040
N-[(3-hydroxyphenyl)methyl]-N-methyl-5-phenylthiophene-2-carboxamide
CID 56934182
N-benzyl-5-(3-methoxyphenyl)-N-methylthiophene-2-carboxamide
CID 56934183
N-benzyl-5-(4-methoxyphenyl)-N-methylthiophene-2-carboxamide
CID 56934185
N-benzyl-5-(2-hydroxyphenyl)-N-methylthiophene-2-carboxamide
CID 56934188
5-(4-cyanophenyl)-N-[(3-hydroxyphenyl)methyl]-N-methylthiophene-2-carboxamide
CID 56934323

Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxyphenyl)-N-[(3-hydroxyphenyl)methyl]-N-methylthiophene-2-carboxamide?
The IUPAC name of 5-(2-hydroxyphenyl)-N-[(3-hydroxyphenyl)methyl]-N-methylthiophene-2-carboxamide (CID 56934042) is 5-(2-hydroxyphenyl)-N-[(3-hydroxyphenyl)methyl]-N-methylthiophene-2-carboxamide.
What is the SMILES notation for 5-(2-hydroxyphenyl)-N-[(3-hydroxyphenyl)methyl]-N-methylthiophene-2-carboxamide?
The canonical SMILES for 5-(2-hydroxyphenyl)-N-[(3-hydroxyphenyl)methyl]-N-methylthiophene-2-carboxamide is CN(Cc1cccc(O)c1)C(=O)c1ccc(-c2ccccc2O)s1.
What is the InChIKey of 5-(2-hydroxyphenyl)-N-[(3-hydroxyphenyl)methyl]-N-methylthiophene-2-carboxamide?
The InChIKey is VFBPLSZZYSKPBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO3S/c1-20(12-13-5-4-6-14(21)11-13)19(23)18-10-9-17(24-18)15-7-2-3-8-16(15)22/h2-11,21-22H,12H2,1H3.
What are the key properties of 5-(2-hydroxyphenyl)-N-[(3-hydroxyphenyl)methyl]-N-methylthiophene-2-carboxamide?
5-(2-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-(2-hydroxyphenyl)-N-[(3-hydroxyphenyl)methyl]-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 56934042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).