N-(2,5-dimethoxyphenyl)-4-thiophen-2-ylbenzamide

C19H17NO3S — CID 1483505

IUPACN-(2,5-dimethoxyphenyl)-4-thiophen-2-ylbenzamide
SMILESCOc1ccc(OC)c(NC(=O)c2ccc(-c3cccs3)cc2)c1
InChIInChI=1S/C19H17NO3S/c1-22-15-9-10-17(23-2)16(12-15)20-19(21)14-7-5-13(6-8-14)18-4-3-11-24-18/h3-12H,1-2H3,(H,20,21)
InChIKeySKPLJKVGLFKXEK-UHFFFAOYSA-N
MW339.42 g/mol
LogP4.68
Rot. Bonds5

About N-(2,5-dimethoxyphenyl)-4-thiophen-2-ylbenzamide

N-(2,5-dimethoxyphenyl)-4-thiophen-2-ylbenzamide (PubChem CID 1483505) has the molecular formula C19H17NO3S and a molecular weight of 339.42 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-4-thiophen-2-ylbenzamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-4-thiophen-2-ylbenzamide
PubChem CID1483505
Molecular FormulaC19H17NO3S
Molecular Weight339.42 g/mol
Exact Mass339.09
IUPAC NameN-(2,5-dimethoxyphenyl)-4-thiophen-2-ylbenzamide
SMILESCOc1ccc(OC)c(NC(=O)c2ccc(-c3cccs3)cc2)c1
InChIInChI=1S/C19H17NO3S/c1-22-15-9-10-17(23-2)16(12-15)20-19(21)14-7-5-13(6-8-14)18-4-3-11-24-18/h3-12H,1-2H3,(H,20,21)
InChIKeySKPLJKVGLFKXEK-UHFFFAOYSA-N
XLogP4.68
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-4-thiophen-2-ylbenzamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-4-thiophen-2-ylbenzamide (CID 1483505) is N-(2,5-dimethoxyphenyl)-4-thiophen-2-ylbenzamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-4-thiophen-2-ylbenzamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-4-thiophen-2-ylbenzamide is COc1ccc(OC)c(NC(=O)c2ccc(-c3cccs3)cc2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-4-thiophen-2-ylbenzamide?
The InChIKey is SKPLJKVGLFKXEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO3S/c1-22-15-9-10-17(23-2)16(12-15)20-19(21)14-7-5-13(6-8-14)18-4-3-11-24-18/h3-12H,1-2H3,(H,20,21).
What are the key properties of N-(2,5-dimethoxyphenyl)-4-thiophen-2-ylbenzamide?
N-(2,5-dimethoxyphenyl)-4-thiophen-2-ylbenzamide has a molecular weight of 339.42 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-4-thiophen-2-ylbenzamide is sourced from PubChem (CID 1483505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).