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

C18H17N3O4S — CID 7577972

IUPAC3,4-dimethoxy-N-[5-(3-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESCOc1ccc(C(=O)Nc2nnc(-c3cccc(SC)c3)o2)cc1OC
InChIInChI=1S/C18H17N3O4S/c1-23-14-8-7-11(10-15(14)24-2)16(22)19-18-21-20-17(25-18)12-5-4-6-13(9-12)26-3/h4-10H,1-3H3,(H,19,21,22)
InChIKeyUKXGDSKZVHVHPG-UHFFFAOYSA-N
MW371.42 g/mol
LogP3.73
Rot. Bonds6

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

3,4-dimethoxy-N-[5-(3-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide (PubChem CID 7577972) has the molecular formula C18H17N3O4S and a molecular weight of 371.42 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[5-(3-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[5-(3-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
PubChem CID7577972
Molecular FormulaC18H17N3O4S
Molecular Weight371.42 g/mol
Exact Mass371.09
IUPAC Name3,4-dimethoxy-N-[5-(3-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESCOc1ccc(C(=O)Nc2nnc(-c3cccc(SC)c3)o2)cc1OC
InChIInChI=1S/C18H17N3O4S/c1-23-14-8-7-11(10-15(14)24-2)16(22)19-18-21-20-17(25-18)12-5-4-6-13(9-12)26-3/h4-10H,1-3H3,(H,19,21,22)
InChIKeyUKXGDSKZVHVHPG-UHFFFAOYSA-N
XLogP3.73
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3,4-dimethoxy-N-[5-(3-methylsulfanylphenyl)-1,3,4-oxadiazol-2-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

N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-3-methylsulfanylbenzamide
CID 16854802
3,4-dimethoxy-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 7533120
N-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-3,4-dimethoxybenzamide
CID 43976692
3-chloro-N-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 7655642
N-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-3-methylsulfanylbenzamide
CID 43976786
1-(5-chloro-2-methoxyphenyl)-3-[5-(3-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]urea
CID 52906586
4-[bis(2-methoxyethyl)sulfamoyl]-N-[5-(3-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 41028147
N-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-methylsulfonylbenzamide
CID 7655762
3-(2,5-dioxopyrrolidin-1-yl)-N-[5-(3-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 7577981
4-cyano-N-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 7655668
3,5-dimethoxy-N-[5-(3-propan-2-ylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 41228441
2,4-difluoro-N-[5-(3-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 43977353

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[5-(3-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The IUPAC name of 3,4-dimethoxy-N-[5-(3-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide (CID 7577972) is 3,4-dimethoxy-N-[5-(3-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-[5-(3-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The canonical SMILES for 3,4-dimethoxy-N-[5-(3-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide is COc1ccc(C(=O)Nc2nnc(-c3cccc(SC)c3)o2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[5-(3-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The InChIKey is UKXGDSKZVHVHPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4S/c1-23-14-8-7-11(10-15(14)24-2)16(22)19-18-21-20-17(25-18)12-5-4-6-13(9-12)26-3/h4-10H,1-3H3,(H,19,21,22).
What are the key properties of 3,4-dimethoxy-N-[5-(3-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
3,4-dimethoxy-N-[5-(3-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide has a molecular weight of 371.42 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[5-(3-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide is sourced from PubChem (CID 7577972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).