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

C19H19N3O4S — CID 44921656

IUPAC2,3-dimethoxy-N-[5-(2-phenylsulfanylethyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESCOc1cccc(C(=O)Nc2nnc(CCSc3ccccc3)o2)c1OC
InChIInChI=1S/C19H19N3O4S/c1-24-15-10-6-9-14(17(15)25-2)18(23)20-19-22-21-16(26-19)11-12-27-13-7-4-3-5-8-13/h3-10H,11-12H2,1-2H3,(H,20,22,23)
InChIKeyOOWHHLKCGMBCCN-UHFFFAOYSA-N
MW385.45 g/mol
LogP3.67
Rot. Bonds8

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

2,3-dimethoxy-N-[5-(2-phenylsulfanylethyl)-1,3,4-oxadiazol-2-yl]benzamide (PubChem CID 44921656) has the molecular formula C19H19N3O4S and a molecular weight of 385.45 g/mol. Its IUPAC name is 2,3-dimethoxy-N-[5-(2-phenylsulfanylethyl)-1,3,4-oxadiazol-2-yl]benzamide.

Molecular Properties

Compound Name2,3-dimethoxy-N-[5-(2-phenylsulfanylethyl)-1,3,4-oxadiazol-2-yl]benzamide
PubChem CID44921656
Molecular FormulaC19H19N3O4S
Molecular Weight385.45 g/mol
Exact Mass385.11
IUPAC Name2,3-dimethoxy-N-[5-(2-phenylsulfanylethyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESCOc1cccc(C(=O)Nc2nnc(CCSc3ccccc3)o2)c1OC
InChIInChI=1S/C19H19N3O4S/c1-24-15-10-6-9-14(17(15)25-2)18(23)20-19-22-21-16(26-19)11-12-27-13-7-4-3-5-8-13/h3-10H,11-12H2,1-2H3,(H,20,22,23)
InChIKeyOOWHHLKCGMBCCN-UHFFFAOYSA-N
XLogP3.67
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 ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2,3-dimethoxy-N-[5-(2-phenylsulfanylethyl)-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

7-methoxy-N-[5-(2-phenylsulfanylethyl)-1,3,4-oxadiazol-2-yl]-1-benzofuran-2-carboxamide
CID 40946613
N-[5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-2,3-dimethoxybenzamide
CID 43973812
2,3-dimethoxy-N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 7243979
2,3-dimethoxy-N-(3-phenylsulfanylpropyl)benzamide
CID 38568099
2,3-dimethoxy-N-[5-(4-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 7578119
2,3-dimethoxy-N-[5-[(4-propan-2-ylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43974899
3-nitro-N-[5-(2-phenylsulfanylethyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 44921561
N-[5-(2-phenylsulfanylethyl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-2-carboxamide
CID 44921587
N-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-2,3-dimethoxybenzamide
CID 90603085
(E)-3-phenyl-N-[5-(2-phenylsulfanylethyl)-1,3,4-oxadiazol-2-yl]prop-2-enamide
CID 44921575
[2-oxo-2-(2-phenylsulfanylethylamino)ethyl] 2,3-dimethoxybenzoate
CID 7604433
N-[5-[(3,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-2-methoxybenzamide
CID 43974321

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxy-N-[5-(2-phenylsulfanylethyl)-1,3,4-oxadiazol-2-yl]benzamide?
The IUPAC name of 2,3-dimethoxy-N-[5-(2-phenylsulfanylethyl)-1,3,4-oxadiazol-2-yl]benzamide (CID 44921656) is 2,3-dimethoxy-N-[5-(2-phenylsulfanylethyl)-1,3,4-oxadiazol-2-yl]benzamide.
What is the SMILES notation for 2,3-dimethoxy-N-[5-(2-phenylsulfanylethyl)-1,3,4-oxadiazol-2-yl]benzamide?
The canonical SMILES for 2,3-dimethoxy-N-[5-(2-phenylsulfanylethyl)-1,3,4-oxadiazol-2-yl]benzamide is COc1cccc(C(=O)Nc2nnc(CCSc3ccccc3)o2)c1OC.
What is the InChIKey of 2,3-dimethoxy-N-[5-(2-phenylsulfanylethyl)-1,3,4-oxadiazol-2-yl]benzamide?
The InChIKey is OOWHHLKCGMBCCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4S/c1-24-15-10-6-9-14(17(15)25-2)18(23)20-19-22-21-16(26-19)11-12-27-13-7-4-3-5-8-13/h3-10H,11-12H2,1-2H3,(H,20,22,23).
What are the key properties of 2,3-dimethoxy-N-[5-(2-phenylsulfanylethyl)-1,3,4-oxadiazol-2-yl]benzamide?
2,3-dimethoxy-N-[5-(2-phenylsulfanylethyl)-1,3,4-oxadiazol-2-yl]benzamide has a molecular weight of 385.45 g/mol, XLogP of 3.67, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxy-N-[5-(2-phenylsulfanylethyl)-1,3,4-oxadiazol-2-yl]benzamide is sourced from PubChem (CID 44921656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).