2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2,4-dimethoxyphenyl)acetamide

C19H19N3O4S — CID 646238

IUPAC2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CSc2nnc(Cc3ccccc3)o2)c(OC)c1
InChIInChI=1S/C19H19N3O4S/c1-24-14-8-9-15(16(11-14)25-2)20-17(23)12-27-19-22-21-18(26-19)10-13-6-4-3-5-7-13/h3-9,11H,10,12H2,1-2H3,(H,20,23)
InChIKeyPMTUMNJKERUWQM-UHFFFAOYSA-N
MW385.45 g/mol
LogP3.41
Rot. Bonds8

About 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2,4-dimethoxyphenyl)acetamide

2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2,4-dimethoxyphenyl)acetamide (PubChem CID 646238) has the molecular formula C19H19N3O4S and a molecular weight of 385.45 g/mol. Its IUPAC name is 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2,4-dimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2,4-dimethoxyphenyl)acetamide
PubChem CID646238
Molecular FormulaC19H19N3O4S
Molecular Weight385.45 g/mol
Exact Mass385.11
IUPAC Name2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CSc2nnc(Cc3ccccc3)o2)c(OC)c1
InChIInChI=1S/C19H19N3O4S/c1-24-14-8-9-15(16(11-14)25-2)20-17(23)12-27-19-22-21-18(26-19)10-13-6-4-3-5-7-13/h3-9,11H,10,12H2,1-2H3,(H,20,23)
InChIKeyPMTUMNJKERUWQM-UHFFFAOYSA-N
XLogP3.41
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2,4-dimethoxyphenyl)acetamide 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-(3-fluoro-2-methylphenyl)-2-({5-[3-(4-methoxyphenyl)propyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetamide
CID 2295372
N-(4-methoxyphenyl)-2-({5-[3-(4-methoxyphenyl)propyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetamide
CID 4033191
2-(5-Dodecyl-[1,3,4]oxadiazol-2-yl)-2-phenyl-N-(2,4,6-trimethoxy-phenyl)-acetamide
CID 10840102
N-(2,4-Dimethoxy-phenyl)-2-{5-[(4-fluoro-phenylamino)-methyl]-[1,3,4]oxadiazol-2-ylsulfanyl}-acetamide
CID 654354
N-(2-Methoxy-phenyl)-2-(5-p-tolyl-[1,3,4]oxadiazol-2-ylsulfanyl)-acetamide
CID 656273
N-(2-methoxyphenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 779642
2-(5-Cyclohexyl-[1,3,4]oxadiazol-2-ylsulfanyl)-N-(2,4-dimethoxy-phenyl)-acetamide
CID 1374219
3-{[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-N-(2-methoxyphenyl)propanamide
CID 1940495
N-(2-methoxyphenyl)-2-{[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetamide
CID 2188733
2-({5-[3-(4-methoxyphenyl)propyl]-1,3,4-oxadiazol-2-yl}sulfanyl)-N-(3-methylphenyl)acetamide
CID 4023844
N-(2-methoxyphenyl)-2-{[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetamide
CID 7418282
N-(2,4-Dimethoxy-phenyl)-3-[(3-phenyl-propionyl)-hydrazono]-butyramide
CID 9592126

Frequently Asked Questions

What is the IUPAC name of 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2,4-dimethoxyphenyl)acetamide?
The IUPAC name of 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2,4-dimethoxyphenyl)acetamide (CID 646238) is 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2,4-dimethoxyphenyl)acetamide.
What is the SMILES notation for 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2,4-dimethoxyphenyl)acetamide?
The canonical SMILES for 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2,4-dimethoxyphenyl)acetamide is COc1ccc(NC(=O)CSc2nnc(Cc3ccccc3)o2)c(OC)c1.
What is the InChIKey of 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2,4-dimethoxyphenyl)acetamide?
The InChIKey is PMTUMNJKERUWQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4S/c1-24-14-8-9-15(16(11-14)25-2)20-17(23)12-27-19-22-21-18(26-19)10-13-6-4-3-5-7-13/h3-9,11H,10,12H2,1-2H3,(H,20,23).
What are the key properties of 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2,4-dimethoxyphenyl)acetamide?
2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2,4-dimethoxyphenyl)acetamide has a molecular weight of 385.45 g/mol, XLogP of 3.41, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2,4-dimethoxyphenyl)acetamide is sourced from PubChem (CID 646238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).