2,4,6-trimethyl-N-[(2-thiophen-3-ylphenyl)methyl]benzamide

C21H21NOS — CID 90596839

IUPAC2,4,6-trimethyl-N-[(2-thiophen-3-ylphenyl)methyl]benzamide
SMILESCc1cc(C)c(C(=O)NCc2ccccc2-c2ccsc2)c(C)c1
InChIInChI=1S/C21H21NOS/c1-14-10-15(2)20(16(3)11-14)21(23)22-12-17-6-4-5-7-19(17)18-8-9-24-13-18/h4-11,13H,12H2,1-3H3,(H,22,23)
InChIKeyBMYZCAJRMDRALH-UHFFFAOYSA-N
MW335.47 g/mol
LogP5.27
Rot. Bonds4

About 2,4,6-trimethyl-N-[(2-thiophen-3-ylphenyl)methyl]benzamide

2,4,6-trimethyl-N-[(2-thiophen-3-ylphenyl)methyl]benzamide (PubChem CID 90596839) has the molecular formula C21H21NOS and a molecular weight of 335.47 g/mol. Its IUPAC name is 2,4,6-trimethyl-N-[(2-thiophen-3-ylphenyl)methyl]benzamide.

Molecular Properties

Compound Name2,4,6-trimethyl-N-[(2-thiophen-3-ylphenyl)methyl]benzamide
PubChem CID90596839
Molecular FormulaC21H21NOS
Molecular Weight335.47 g/mol
Exact Mass335.13
IUPAC Name2,4,6-trimethyl-N-[(2-thiophen-3-ylphenyl)methyl]benzamide
SMILESCc1cc(C)c(C(=O)NCc2ccccc2-c2ccsc2)c(C)c1
InChIInChI=1S/C21H21NOS/c1-14-10-15(2)20(16(3)11-14)21(23)22-12-17-6-4-5-7-19(17)18-8-9-24-13-18/h4-11,13H,12H2,1-3H3,(H,22,23)
InChIKeyBMYZCAJRMDRALH-UHFFFAOYSA-N
XLogP5.27
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.47
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-dimethoxy-N-[(2-thiophen-3-ylphenyl)methyl]benzamide
CID 90596857
2-[(2,5-dimethylphenyl)sulfonylamino]-N-[(2-thiophen-3-ylphenyl)methyl]acetamide
CID 90596877
4-(4-fluorophenyl)-N-[(2-thiophen-3-ylphenyl)methyl]benzamide
CID 90596881
2-ethoxy-N-[(2-thiophen-3-ylphenyl)methyl]benzamide
CID 90596843
N-[(2-thiophen-3-ylphenyl)methyl]prop-2-ynamide
CID 90596997
2,4-dimethoxy-N-[(2-thiophen-3-ylphenyl)methyl]benzamide
CID 90597025
2-thiophen-2-yl-N-[(2-thiophen-3-ylphenyl)methyl]acetamide
CID 71809924
2-(4-chlorophenyl)-N-[(2-thiophen-3-ylphenyl)methyl]acetamide
CID 90596848
5-bromo-N-[(2-thiophen-3-ylphenyl)methyl]furan-2-carboxamide
CID 90597008
2,4,6-trimethyl-N-[[2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)phenyl]methyl]benzamide
CID 87493735
N-[(2-thiophen-3-ylphenyl)methyl]undecanamide
CID 90596958
2-(4-ethoxyphenyl)-N-[(2-thiophen-3-ylphenyl)methyl]acetamide
CID 71809931

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-N-[(2-thiophen-3-ylphenyl)methyl]benzamide?
The IUPAC name of 2,4,6-trimethyl-N-[(2-thiophen-3-ylphenyl)methyl]benzamide (CID 90596839) is 2,4,6-trimethyl-N-[(2-thiophen-3-ylphenyl)methyl]benzamide.
What is the SMILES notation for 2,4,6-trimethyl-N-[(2-thiophen-3-ylphenyl)methyl]benzamide?
The canonical SMILES for 2,4,6-trimethyl-N-[(2-thiophen-3-ylphenyl)methyl]benzamide is Cc1cc(C)c(C(=O)NCc2ccccc2-c2ccsc2)c(C)c1.
What is the InChIKey of 2,4,6-trimethyl-N-[(2-thiophen-3-ylphenyl)methyl]benzamide?
The InChIKey is BMYZCAJRMDRALH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NOS/c1-14-10-15(2)20(16(3)11-14)21(23)22-12-17-6-4-5-7-19(17)18-8-9-24-13-18/h4-11,13H,12H2,1-3H3,(H,22,23).
What are the key properties of 2,4,6-trimethyl-N-[(2-thiophen-3-ylphenyl)methyl]benzamide?
2,4,6-trimethyl-N-[(2-thiophen-3-ylphenyl)methyl]benzamide has a molecular weight of 335.47 g/mol, XLogP of 5.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-N-[(2-thiophen-3-ylphenyl)methyl]benzamide is sourced from PubChem (CID 90596839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).