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

C20H19NO3S — CID 90597025

IUPAC2,4-dimethoxy-N-[(2-thiophen-3-ylphenyl)methyl]benzamide
SMILESCOc1ccc(C(=O)NCc2ccccc2-c2ccsc2)c(OC)c1
InChIInChI=1S/C20H19NO3S/c1-23-16-7-8-18(19(11-16)24-2)20(22)21-12-14-5-3-4-6-17(14)15-9-10-25-13-15/h3-11,13H,12H2,1-2H3,(H,21,22)
InChIKeyZBRBEECTLAMMBA-UHFFFAOYSA-N
MW353.44 g/mol
LogP4.36
Rot. Bonds6

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

2,4-dimethoxy-N-[(2-thiophen-3-ylphenyl)methyl]benzamide (PubChem CID 90597025) has the molecular formula C20H19NO3S and a molecular weight of 353.44 g/mol. Its IUPAC name is 2,4-dimethoxy-N-[(2-thiophen-3-ylphenyl)methyl]benzamide.

Molecular Properties

Compound Name2,4-dimethoxy-N-[(2-thiophen-3-ylphenyl)methyl]benzamide
PubChem CID90597025
Molecular FormulaC20H19NO3S
Molecular Weight353.44 g/mol
Exact Mass353.11
IUPAC Name2,4-dimethoxy-N-[(2-thiophen-3-ylphenyl)methyl]benzamide
SMILESCOc1ccc(C(=O)NCc2ccccc2-c2ccsc2)c(OC)c1
InChIInChI=1S/C20H19NO3S/c1-23-16-7-8-18(19(11-16)24-2)20(22)21-12-14-5-3-4-6-17(14)15-9-10-25-13-15/h3-11,13H,12H2,1-2H3,(H,21,22)
InChIKeyZBRBEECTLAMMBA-UHFFFAOYSA-N
XLogP4.36
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dimethoxy-N-[(2-thiophen-3-ylphenyl)methyl]benzamide
CID 90596857
6-methoxy-N-[(2-thiophen-3-ylphenyl)methyl]-1H-indole-2-carboxamide
CID 71809971
2-ethoxy-N-[(2-thiophen-3-ylphenyl)methyl]benzamide
CID 90596843
3-(2,5-dimethoxyphenyl)-1-methyl-N-[(2-thiophen-3-ylphenyl)methyl]pyrazole-5-carboxamide
CID 71809940
2,4,6-trimethyl-N-[(2-thiophen-3-ylphenyl)methyl]benzamide
CID 90596839
2-(4-ethoxyphenyl)-N-[(2-thiophen-3-ylphenyl)methyl]acetamide
CID 71809931
2,4-dimethoxy-N-[(2-methoxy-3-pyridinyl)methyl]benzamide
CID 38533824
2,4-dimethoxy-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzamide
CID 90612561
2-bromo-5-methoxy-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]benzamide
CID 91630201
2,4-dimethoxy-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]benzamide
CID 55663365
N-[(3-hydroxyphenyl)methyl]-2,4-dimethoxybenzamide
CID 61018179
2,4-dimethoxy-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 55735719

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-N-[(2-thiophen-3-ylphenyl)methyl]benzamide?
The IUPAC name of 2,4-dimethoxy-N-[(2-thiophen-3-ylphenyl)methyl]benzamide (CID 90597025) is 2,4-dimethoxy-N-[(2-thiophen-3-ylphenyl)methyl]benzamide.
What is the SMILES notation for 2,4-dimethoxy-N-[(2-thiophen-3-ylphenyl)methyl]benzamide?
The canonical SMILES for 2,4-dimethoxy-N-[(2-thiophen-3-ylphenyl)methyl]benzamide is COc1ccc(C(=O)NCc2ccccc2-c2ccsc2)c(OC)c1.
What is the InChIKey of 2,4-dimethoxy-N-[(2-thiophen-3-ylphenyl)methyl]benzamide?
The InChIKey is ZBRBEECTLAMMBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO3S/c1-23-16-7-8-18(19(11-16)24-2)20(22)21-12-14-5-3-4-6-17(14)15-9-10-25-13-15/h3-11,13H,12H2,1-2H3,(H,21,22).
What are the key properties of 2,4-dimethoxy-N-[(2-thiophen-3-ylphenyl)methyl]benzamide?
2,4-dimethoxy-N-[(2-thiophen-3-ylphenyl)methyl]benzamide has a molecular weight of 353.44 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-N-[(2-thiophen-3-ylphenyl)methyl]benzamide is sourced from PubChem (CID 90597025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).