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

C21H22N2O2S — CID 56934326

IUPAC5-[3-(dimethylamino)phenyl]-N-[(3-hydroxyphenyl)methyl]-N-methylthiophene-2-carboxamide
SMILESCN(Cc1cccc(O)c1)C(=O)c1ccc(-c2cccc(N(C)C)c2)s1
InChIInChI=1S/C21H22N2O2S/c1-22(2)17-8-5-7-16(13-17)19-10-11-20(26-19)21(25)23(3)14-15-6-4-9-18(24)12-15/h4-13,24H,14H2,1-3H3
InChIKeySCLYQMVZOZGIRE-UHFFFAOYSA-N
MW366.49 g/mol
LogP4.46
Rot. Bonds5

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

5-[3-(dimethylamino)phenyl]-N-[(3-hydroxyphenyl)methyl]-N-methylthiophene-2-carboxamide (PubChem CID 56934326) has the molecular formula C21H22N2O2S and a molecular weight of 366.49 g/mol. Its IUPAC name is 5-[3-(dimethylamino)phenyl]-N-[(3-hydroxyphenyl)methyl]-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-[3-(dimethylamino)phenyl]-N-[(3-hydroxyphenyl)methyl]-N-methylthiophene-2-carboxamide
PubChem CID56934326
Molecular FormulaC21H22N2O2S
Molecular Weight366.49 g/mol
Exact Mass366.14
IUPAC Name5-[3-(dimethylamino)phenyl]-N-[(3-hydroxyphenyl)methyl]-N-methylthiophene-2-carboxamide
SMILESCN(Cc1cccc(O)c1)C(=O)c1ccc(-c2cccc(N(C)C)c2)s1
InChIInChI=1S/C21H22N2O2S/c1-22(2)17-8-5-7-16(13-17)19-10-11-20(26-19)21(25)23(3)14-15-6-4-9-18(24)12-15/h4-13,24H,14H2,1-3H3
InChIKeySCLYQMVZOZGIRE-UHFFFAOYSA-N
XLogP4.46
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-hydroxyphenyl)-N-[(3-hydroxyphenyl)methyl]-N-methylthiophene-2-carboxamide
CID 56934038
5-(4-hydroxyphenyl)-N-[(3-hydroxyphenyl)methyl]-N-methylthiophene-2-carboxamide
CID 56934040
5-(2-hydroxyphenyl)-N-[(3-hydroxyphenyl)methyl]-N-methylthiophene-2-carboxamide
CID 56934042
N-[(3-hydroxyphenyl)methyl]-N-methyl-5-phenylthiophene-2-carboxamide
CID 56934182
N-benzyl-5-(2-hydroxyphenyl)-N-methylthiophene-2-carboxamide
CID 56934188
5-(4-cyanophenyl)-N-[(3-hydroxyphenyl)methyl]-N-methylthiophene-2-carboxamide
CID 56934323
N-[(3-hydroxyphenyl)methyl]-N-methyl-5-(3-methylphenyl)thiophene-2-carboxamide
CID 56934327
5-(3-Fluorophenyl)-N-(3-hydroxybenzyl)-N-methylthiophene-2-carboxamide
CID 56934328
5-(4-Fluorophenyl)-N-(3-hydroxybenzyl)-N-methylthiophene-2-carboxamide
CID 56934478
5-(2-fluoro-3-hydroxyphenyl)-N-[(3-hydroxyphenyl)methyl]-N-methylthiophene-2-carboxamide
CID 56934479
N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-(4-hydroxyphenyl)thiophene-2-carboxamide
CID 59761462
5-(3-(Dimethylamino)phenyl)-N-(3-methoxyphenyl)-N-methylthiophene-2-carboxamide
CID 60196601

Frequently Asked Questions

What is the IUPAC name of 5-[3-(dimethylamino)phenyl]-N-[(3-hydroxyphenyl)methyl]-N-methylthiophene-2-carboxamide?
The IUPAC name of 5-[3-(dimethylamino)phenyl]-N-[(3-hydroxyphenyl)methyl]-N-methylthiophene-2-carboxamide (CID 56934326) is 5-[3-(dimethylamino)phenyl]-N-[(3-hydroxyphenyl)methyl]-N-methylthiophene-2-carboxamide.
What is the SMILES notation for 5-[3-(dimethylamino)phenyl]-N-[(3-hydroxyphenyl)methyl]-N-methylthiophene-2-carboxamide?
The canonical SMILES for 5-[3-(dimethylamino)phenyl]-N-[(3-hydroxyphenyl)methyl]-N-methylthiophene-2-carboxamide is CN(Cc1cccc(O)c1)C(=O)c1ccc(-c2cccc(N(C)C)c2)s1.
What is the InChIKey of 5-[3-(dimethylamino)phenyl]-N-[(3-hydroxyphenyl)methyl]-N-methylthiophene-2-carboxamide?
The InChIKey is SCLYQMVZOZGIRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2S/c1-22(2)17-8-5-7-16(13-17)19-10-11-20(26-19)21(25)23(3)14-15-6-4-9-18(24)12-15/h4-13,24H,14H2,1-3H3.
What are the key properties of 5-[3-(dimethylamino)phenyl]-N-[(3-hydroxyphenyl)methyl]-N-methylthiophene-2-carboxamide?
5-[3-(dimethylamino)phenyl]-N-[(3-hydroxyphenyl)methyl]-N-methylthiophene-2-carboxamide has a molecular weight of 366.49 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(dimethylamino)phenyl]-N-[(3-hydroxyphenyl)methyl]-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 56934326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).