3,4-dimethoxy-N-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]benzamide

C17H17N3O4S — CID 53042243

IUPAC3,4-dimethoxy-N-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]benzamide
SMILESCOc1ccc(C(=O)Nc2cc(-c3noc(C)n3)sc2C)cc1OC
InChIInChI=1S/C17H17N3O4S/c1-9-12(8-15(25-9)16-18-10(2)24-20-16)19-17(21)11-5-6-13(22-3)14(7-11)23-4/h5-8H,1-4H3,(H,19,21)
InChIKeyQFEYJQBIRXEMIN-UHFFFAOYSA-N
MW359.41 g/mol
LogP3.68
Rot. Bonds5

About 3,4-dimethoxy-N-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]benzamide

3,4-dimethoxy-N-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]benzamide (PubChem CID 53042243) has the molecular formula C17H17N3O4S and a molecular weight of 359.41 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]benzamide
PubChem CID53042243
Molecular FormulaC17H17N3O4S
Molecular Weight359.41 g/mol
Exact Mass359.09
IUPAC Name3,4-dimethoxy-N-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]benzamide
SMILESCOc1ccc(C(=O)Nc2cc(-c3noc(C)n3)sc2C)cc1OC
InChIInChI=1S/C17H17N3O4S/c1-9-12(8-15(25-9)16-18-10(2)24-20-16)19-17(21)11-5-6-13(22-3)14(7-11)23-4/h5-8H,1-4H3,(H,19,21)
InChIKeyQFEYJQBIRXEMIN-UHFFFAOYSA-N
XLogP3.68
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3,4-dimethoxy-N-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-cyano-N-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]benzamide
CID 53078613
N-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]-3,4,5-trimethoxybenzamide
CID 53078633
N-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]-3,4,5-trimethoxybenzamide
CID 53078649
N-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]thiophene-2-carboxamide
CID 53093367
4-methoxy-N-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)thiophen-3-yl]benzamide
CID 53140670
N-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]benzamide
CID 53042299
N-(3,5-dimethyl-1,2-oxazol-4-yl)-3,4-dimethoxybenzamide
CID 51098103
3-acetamido-N-[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]-4-methylbenzamide
CID 53042334
3,4-dimethoxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 2109069
(E)-3-(furan-2-yl)-N-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]prop-2-enamide
CID 53078621
N-(2,5-dimethoxyphenyl)-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 51309899
3,4-dimethoxy-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 90626060

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]benzamide?
The IUPAC name of 3,4-dimethoxy-N-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]benzamide (CID 53042243) is 3,4-dimethoxy-N-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]benzamide?
The canonical SMILES for 3,4-dimethoxy-N-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]benzamide is COc1ccc(C(=O)Nc2cc(-c3noc(C)n3)sc2C)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]benzamide?
The InChIKey is QFEYJQBIRXEMIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4S/c1-9-12(8-15(25-9)16-18-10(2)24-20-16)19-17(21)11-5-6-13(22-3)14(7-11)23-4/h5-8H,1-4H3,(H,19,21).
What are the key properties of 3,4-dimethoxy-N-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]benzamide?
3,4-dimethoxy-N-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]benzamide has a molecular weight of 359.41 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]benzamide is sourced from PubChem (CID 53042243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).