N-benzyl-5-(2-hydroxyphenyl)-N-methylthiophene-2-carboxamide

C19H17NO2S — CID 56934188

IUPACN-benzyl-5-(2-hydroxyphenyl)-N-methylthiophene-2-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1ccc(-c2ccccc2O)s1
InChIInChI=1S/C19H17NO2S/c1-20(13-14-7-3-2-4-8-14)19(22)18-12-11-17(23-18)15-9-5-6-10-16(15)21/h2-12,21H,13H2,1H3
InChIKeyBXUPFPKMMRAMJX-UHFFFAOYSA-N
MW323.42 g/mol
LogP4.39
Rot. Bonds4

About N-benzyl-5-(2-hydroxyphenyl)-N-methylthiophene-2-carboxamide

N-benzyl-5-(2-hydroxyphenyl)-N-methylthiophene-2-carboxamide (PubChem CID 56934188) has the molecular formula C19H17NO2S and a molecular weight of 323.42 g/mol. Its IUPAC name is N-benzyl-5-(2-hydroxyphenyl)-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-(2-hydroxyphenyl)-N-methylthiophene-2-carboxamide
PubChem CID56934188
Molecular FormulaC19H17NO2S
Molecular Weight323.42 g/mol
Exact Mass323.10
IUPAC NameN-benzyl-5-(2-hydroxyphenyl)-N-methylthiophene-2-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1ccc(-c2ccccc2O)s1
InChIInChI=1S/C19H17NO2S/c1-20(13-14-7-3-2-4-8-14)19(22)18-12-11-17(23-18)15-9-5-6-10-16(15)21/h2-12,21H,13H2,1H3
InChIKeyBXUPFPKMMRAMJX-UHFFFAOYSA-N
XLogP4.39
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-(2-hydroxyphenyl)-N-methylthiophene-2-carboxamide?
The IUPAC name of N-benzyl-5-(2-hydroxyphenyl)-N-methylthiophene-2-carboxamide (CID 56934188) is N-benzyl-5-(2-hydroxyphenyl)-N-methylthiophene-2-carboxamide.
What is the SMILES notation for N-benzyl-5-(2-hydroxyphenyl)-N-methylthiophene-2-carboxamide?
The canonical SMILES for N-benzyl-5-(2-hydroxyphenyl)-N-methylthiophene-2-carboxamide is CN(Cc1ccccc1)C(=O)c1ccc(-c2ccccc2O)s1.
What is the InChIKey of N-benzyl-5-(2-hydroxyphenyl)-N-methylthiophene-2-carboxamide?
The InChIKey is BXUPFPKMMRAMJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO2S/c1-20(13-14-7-3-2-4-8-14)19(22)18-12-11-17(23-18)15-9-5-6-10-16(15)21/h2-12,21H,13H2,1H3.
What are the key properties of N-benzyl-5-(2-hydroxyphenyl)-N-methylthiophene-2-carboxamide?
N-benzyl-5-(2-hydroxyphenyl)-N-methylthiophene-2-carboxamide has a molecular weight of 323.42 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-(2-hydroxyphenyl)-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 56934188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).