N-(2,4-dimethylphenyl)-2-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]acetamide

C20H21N3O2S — CID 46367617

IUPACN-(2,4-dimethylphenyl)-2-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]acetamide
SMILESCc1ccc(-c2nc(CSCC(=O)Nc3ccc(C)cc3C)no2)cc1
InChIInChI=1S/C20H21N3O2S/c1-13-4-7-16(8-5-13)20-22-18(23-25-20)11-26-12-19(24)21-17-9-6-14(2)10-15(17)3/h4-10H,11-12H2,1-3H3,(H,21,24)
InChIKeyASIVKKUUNZKNND-UHFFFAOYSA-N
MW367.47 g/mol
LogP4.53
Rot. Bonds6

About N-(2,4-dimethylphenyl)-2-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]acetamide

N-(2,4-dimethylphenyl)-2-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]acetamide (PubChem CID 46367617) has the molecular formula C20H21N3O2S and a molecular weight of 367.47 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-2-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-2-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]acetamide
PubChem CID46367617
Molecular FormulaC20H21N3O2S
Molecular Weight367.47 g/mol
Exact Mass367.14
IUPAC NameN-(2,4-dimethylphenyl)-2-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]acetamide
SMILESCc1ccc(-c2nc(CSCC(=O)Nc3ccc(C)cc3C)no2)cc1
InChIInChI=1S/C20H21N3O2S/c1-13-4-7-16(8-5-13)20-22-18(23-25-20)11-26-12-19(24)21-17-9-6-14(2)10-15(17)3/h4-10H,11-12H2,1-3H3,(H,21,24)
InChIKeyASIVKKUUNZKNND-UHFFFAOYSA-N
XLogP4.53
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-N-(2-methylpropyl)acetamide
CID 46367603
N-(3-chloro-4-methoxyphenyl)-2-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]acetamide
CID 46367648
N-benzyl-2-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]acetamide
CID 46367622
3-(2,4-dimethylphenyl)-1-[2-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]-1-methylurea
CID 53055339
2-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-N-(4-methylphenyl)acetamide
CID 60541127
N-(2,4-dimethylphenyl)-2-[2-methyl-4-(5-phenyl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide
CID 53178029
N-(2,4-dimethylphenyl)-2-(naphthalen-1-ylmethylsulfanyl)acetamide
CID 31087808
ethyl 2-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanylacetate
CID 3708350
N-(4-bromophenyl)-2-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanylacetamide
CID 7964866
methyl 3-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanylpropanoate
CID 8785524
N-(2,4-dimethylphenyl)-2-(4-methylphenyl)sulfanylacetamide
CID 734052
1-[[5-(3-bromophenyl)-1,2,4-oxadiazol-3-yl]methyl]-3-(2,4-dimethylphenyl)urea
CID 100665519

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-2-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]acetamide?
The IUPAC name of N-(2,4-dimethylphenyl)-2-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]acetamide (CID 46367617) is N-(2,4-dimethylphenyl)-2-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]acetamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-2-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]acetamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-2-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]acetamide is Cc1ccc(-c2nc(CSCC(=O)Nc3ccc(C)cc3C)no2)cc1.
What is the InChIKey of N-(2,4-dimethylphenyl)-2-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]acetamide?
The InChIKey is ASIVKKUUNZKNND-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2S/c1-13-4-7-16(8-5-13)20-22-18(23-25-20)11-26-12-19(24)21-17-9-6-14(2)10-15(17)3/h4-10H,11-12H2,1-3H3,(H,21,24).
What are the key properties of N-(2,4-dimethylphenyl)-2-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]acetamide?
N-(2,4-dimethylphenyl)-2-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]acetamide has a molecular weight of 367.47 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-2-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]acetamide is sourced from PubChem (CID 46367617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).