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

C19H17NO2S — CID 56934182

IUPACN-[(3-hydroxyphenyl)methyl]-N-methyl-5-phenylthiophene-2-carboxamide
SMILESCN(Cc1cccc(O)c1)C(=O)c1ccc(-c2ccccc2)s1
InChIInChI=1S/C19H17NO2S/c1-20(13-14-6-5-9-16(21)12-14)19(22)18-11-10-17(23-18)15-7-3-2-4-8-15/h2-12,21H,13H2,1H3
InChIKeyDQPSAXOMCMSTLL-UHFFFAOYSA-N
MW323.42 g/mol
LogP4.39
Rot. Bonds4

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

N-[(3-hydroxyphenyl)methyl]-N-methyl-5-phenylthiophene-2-carboxamide (PubChem CID 56934182) has the molecular formula C19H17NO2S and a molecular weight of 323.42 g/mol. Its IUPAC name is N-[(3-hydroxyphenyl)methyl]-N-methyl-5-phenylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(3-hydroxyphenyl)methyl]-N-methyl-5-phenylthiophene-2-carboxamide
PubChem CID56934182
Molecular FormulaC19H17NO2S
Molecular Weight323.42 g/mol
Exact Mass323.10
IUPAC NameN-[(3-hydroxyphenyl)methyl]-N-methyl-5-phenylthiophene-2-carboxamide
SMILESCN(Cc1cccc(O)c1)C(=O)c1ccc(-c2ccccc2)s1
InChIInChI=1S/C19H17NO2S/c1-20(13-14-6-5-9-16(21)12-14)19(22)18-11-10-17(23-18)15-7-3-2-4-8-15/h2-12,21H,13H2,1H3
InChIKeyDQPSAXOMCMSTLL-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-[(3-hydroxyphenyl)methyl]-N-methyl-5-phenylthiophene-2-carboxamide?
The IUPAC name of N-[(3-hydroxyphenyl)methyl]-N-methyl-5-phenylthiophene-2-carboxamide (CID 56934182) is N-[(3-hydroxyphenyl)methyl]-N-methyl-5-phenylthiophene-2-carboxamide.
What is the SMILES notation for N-[(3-hydroxyphenyl)methyl]-N-methyl-5-phenylthiophene-2-carboxamide?
The canonical SMILES for N-[(3-hydroxyphenyl)methyl]-N-methyl-5-phenylthiophene-2-carboxamide is CN(Cc1cccc(O)c1)C(=O)c1ccc(-c2ccccc2)s1.
What is the InChIKey of N-[(3-hydroxyphenyl)methyl]-N-methyl-5-phenylthiophene-2-carboxamide?
The InChIKey is DQPSAXOMCMSTLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO2S/c1-20(13-14-6-5-9-16(21)12-14)19(22)18-11-10-17(23-18)15-7-3-2-4-8-15/h2-12,21H,13H2,1H3.
What are the key properties of N-[(3-hydroxyphenyl)methyl]-N-methyl-5-phenylthiophene-2-carboxamide?
N-[(3-hydroxyphenyl)methyl]-N-methyl-5-phenylthiophene-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-[(3-hydroxyphenyl)methyl]-N-methyl-5-phenylthiophene-2-carboxamide is sourced from PubChem (CID 56934182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).