N-(2,3-dimethylphenyl)-2-[2-methoxyethyl-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]amino]acetamide

C20H24N4O3S — CID 24534482

IUPACN-(2,3-dimethylphenyl)-2-[2-methoxyethyl-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]amino]acetamide
SMILESCOCCN(CC(=O)Nc1cccc(C)c1C)Cc1nc(-c2ccsc2)no1
InChIInChI=1S/C20H24N4O3S/c1-14-5-4-6-17(15(14)2)21-18(25)11-24(8-9-26-3)12-19-22-20(23-27-19)16-7-10-28-13-16/h4-7,10,13H,8-9,11-12H2,1-3H3,(H,21,25)
InChIKeyIQXIIFYODCZQIB-UHFFFAOYSA-N
MW400.50 g/mol
LogP3.50
Rot. Bonds9

About N-(2,3-dimethylphenyl)-2-[2-methoxyethyl-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]amino]acetamide

N-(2,3-dimethylphenyl)-2-[2-methoxyethyl-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]amino]acetamide (PubChem CID 24534482) has the molecular formula C20H24N4O3S and a molecular weight of 400.50 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-[2-methoxyethyl-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]amino]acetamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2-[2-methoxyethyl-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]amino]acetamide
PubChem CID24534482
Molecular FormulaC20H24N4O3S
Molecular Weight400.50 g/mol
Exact Mass400.16
IUPAC NameN-(2,3-dimethylphenyl)-2-[2-methoxyethyl-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]amino]acetamide
SMILESCOCCN(CC(=O)Nc1cccc(C)c1C)Cc1nc(-c2ccsc2)no1
InChIInChI=1S/C20H24N4O3S/c1-14-5-4-6-17(15(14)2)21-18(25)11-24(8-9-26-3)12-19-22-20(23-27-19)16-7-10-28-13-16/h4-7,10,13H,8-9,11-12H2,1-3H3,(H,21,25)
InChIKeyIQXIIFYODCZQIB-UHFFFAOYSA-N
XLogP3.50
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.50
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2,3-dimethylphenyl)-2-[2-methoxyethyl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amino]acetamide
CID 17499316
N-(2-methoxyphenyl)-2-[propyl-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]amino]acetamide
CID 51223786
2-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl-propylamino]-N-(2-methylphenyl)acetamide
CID 38176839
2-[2-(dimethylamino)ethyl-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]amino]acetic acid
CID 107425703
N-(2-methylphenyl)-2-[propyl-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]acetamide
CID 38176764
N-(2,3-dimethylphenyl)-2-[methyl-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]amino]acetamide
CID 38511433
(E)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(2-methoxyethyl)-3-thiophen-3-ylprop-2-enamide
CID 24683008
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[ethyl-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]amino]acetamide
CID 55410008
2-[propyl-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]amino]ethanol
CID 60696504
N-(2,3-dimethylphenyl)-2-[2-methoxyethyl-[2-oxo-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]ethyl]amino]acetamide
CID 24534471
N-cyclohexyl-2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-(2-methoxyethyl)amino]acetamide
CID 17412870
2-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl-(2-methoxyethyl)amino]-N,N-dimethylacetamide
CID 52675924

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2-[2-methoxyethyl-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]amino]acetamide?
The IUPAC name of N-(2,3-dimethylphenyl)-2-[2-methoxyethyl-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]amino]acetamide (CID 24534482) is N-(2,3-dimethylphenyl)-2-[2-methoxyethyl-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]amino]acetamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2-[2-methoxyethyl-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]amino]acetamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-2-[2-methoxyethyl-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]amino]acetamide is COCCN(CC(=O)Nc1cccc(C)c1C)Cc1nc(-c2ccsc2)no1.
What is the InChIKey of N-(2,3-dimethylphenyl)-2-[2-methoxyethyl-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]amino]acetamide?
The InChIKey is IQXIIFYODCZQIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3S/c1-14-5-4-6-17(15(14)2)21-18(25)11-24(8-9-26-3)12-19-22-20(23-27-19)16-7-10-28-13-16/h4-7,10,13H,8-9,11-12H2,1-3H3,(H,21,25).
What are the key properties of N-(2,3-dimethylphenyl)-2-[2-methoxyethyl-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]amino]acetamide?
N-(2,3-dimethylphenyl)-2-[2-methoxyethyl-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]amino]acetamide has a molecular weight of 400.50 g/mol, XLogP of 3.50, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-2-[2-methoxyethyl-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]amino]acetamide is sourced from PubChem (CID 24534482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).