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

C20H19NO3S — CID 90596857

IUPAC3,4-dimethoxy-N-[(2-thiophen-3-ylphenyl)methyl]benzamide
SMILESCOc1ccc(C(=O)NCc2ccccc2-c2ccsc2)cc1OC
InChIInChI=1S/C20H19NO3S/c1-23-18-8-7-14(11-19(18)24-2)20(22)21-12-15-5-3-4-6-17(15)16-9-10-25-13-16/h3-11,13H,12H2,1-2H3,(H,21,22)
InChIKeyTXPZAXZGZWMIQC-UHFFFAOYSA-N
MW353.44 g/mol
LogP4.36
Rot. Bonds6

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

3,4-dimethoxy-N-[(2-thiophen-3-ylphenyl)methyl]benzamide (PubChem CID 90596857) has the molecular formula C20H19NO3S and a molecular weight of 353.44 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[(2-thiophen-3-ylphenyl)methyl]benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[(2-thiophen-3-ylphenyl)methyl]benzamide
PubChem CID90596857
Molecular FormulaC20H19NO3S
Molecular Weight353.44 g/mol
Exact Mass353.11
IUPAC Name3,4-dimethoxy-N-[(2-thiophen-3-ylphenyl)methyl]benzamide
SMILESCOc1ccc(C(=O)NCc2ccccc2-c2ccsc2)cc1OC
InChIInChI=1S/C20H19NO3S/c1-23-18-8-7-14(11-19(18)24-2)20(22)21-12-15-5-3-4-6-17(15)16-9-10-25-13-16/h3-11,13H,12H2,1-2H3,(H,21,22)
InChIKeyTXPZAXZGZWMIQC-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

2,4-dimethoxy-N-[(2-thiophen-3-ylphenyl)methyl]benzamide
CID 90597025
4-(4-fluorophenyl)-N-[(2-thiophen-3-ylphenyl)methyl]benzamide
CID 90596881
2-ethoxy-N-[(2-thiophen-3-ylphenyl)methyl]benzamide
CID 90596843
2,4,6-trimethyl-N-[(2-thiophen-3-ylphenyl)methyl]benzamide
CID 90596839
3-(2,5-dimethoxyphenyl)-1-methyl-N-[(2-thiophen-3-ylphenyl)methyl]pyrazole-5-carboxamide
CID 71809940
4-(diethylsulfamoyl)-N-[(2-thiophen-3-ylphenyl)methyl]benzamide
CID 121145078
6-methoxy-N-[(2-thiophen-3-ylphenyl)methyl]-1H-indole-2-carboxamide
CID 71809971
3,4-dimethoxy-N'-[2-(2-methoxyphenyl)acetyl]benzohydrazide
CID 24645288
2-(4-ethoxyphenyl)-N-[(2-thiophen-3-ylphenyl)methyl]acetamide
CID 71809931
N-[(2,3-dimethoxyphenyl)methyl]-6-thiophen-3-ylpyridine-3-carboxamide
CID 53149665
N-[[3-[[(3,4-dimethoxybenzoyl)amino]methyl]phenyl]methyl]-3,4-dimethoxybenzamide
CID 2841934
N-[(2-thiophen-3-ylphenyl)methyl]prop-2-ynamide
CID 90596997

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[(2-thiophen-3-ylphenyl)methyl]benzamide?
The IUPAC name of 3,4-dimethoxy-N-[(2-thiophen-3-ylphenyl)methyl]benzamide (CID 90596857) is 3,4-dimethoxy-N-[(2-thiophen-3-ylphenyl)methyl]benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-[(2-thiophen-3-ylphenyl)methyl]benzamide?
The canonical SMILES for 3,4-dimethoxy-N-[(2-thiophen-3-ylphenyl)methyl]benzamide is COc1ccc(C(=O)NCc2ccccc2-c2ccsc2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[(2-thiophen-3-ylphenyl)methyl]benzamide?
The InChIKey is TXPZAXZGZWMIQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO3S/c1-23-18-8-7-14(11-19(18)24-2)20(22)21-12-15-5-3-4-6-17(15)16-9-10-25-13-16/h3-11,13H,12H2,1-2H3,(H,21,22).
What are the key properties of 3,4-dimethoxy-N-[(2-thiophen-3-ylphenyl)methyl]benzamide?
3,4-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 3,4-dimethoxy-N-[(2-thiophen-3-ylphenyl)methyl]benzamide is sourced from PubChem (CID 90596857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).