2-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfinyl]-N-[(2-methoxyphenyl)methyl]-N-methylacetamide

C22H25N3O4S — CID 78853235

IUPAC2-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfinyl]-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
SMILESCCc1ccc(-c2noc(CS(=O)CC(=O)N(C)Cc3ccccc3OC)n2)cc1
InChIInChI=1S/C22H25N3O4S/c1-4-16-9-11-17(12-10-16)22-23-20(29-24-22)14-30(27)15-21(26)25(2)13-18-7-5-6-8-19(18)28-3/h5-12H,4,13-15H2,1-3H3
InChIKeyDMLCQGPYYKJRMR-UHFFFAOYSA-N
MW427.53 g/mol
LogP3.21
Rot. Bonds9

About 2-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfinyl]-N-[(2-methoxyphenyl)methyl]-N-methylacetamide

2-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfinyl]-N-[(2-methoxyphenyl)methyl]-N-methylacetamide (PubChem CID 78853235) has the molecular formula C22H25N3O4S and a molecular weight of 427.53 g/mol. Its IUPAC name is 2-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfinyl]-N-[(2-methoxyphenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfinyl]-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
PubChem CID78853235
Molecular FormulaC22H25N3O4S
Molecular Weight427.53 g/mol
Exact Mass427.16
IUPAC Name2-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfinyl]-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
SMILESCCc1ccc(-c2noc(CS(=O)CC(=O)N(C)Cc3ccccc3OC)n2)cc1
InChIInChI=1S/C22H25N3O4S/c1-4-16-9-11-17(12-10-16)22-23-20(29-24-22)14-30(27)15-21(26)25(2)13-18-7-5-6-8-19(18)28-3/h5-12H,4,13-15H2,1-3H3
InChIKeyDMLCQGPYYKJRMR-UHFFFAOYSA-N
XLogP3.21
TPSA85.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.53
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfinyl]-N-[(2-methoxyphenyl)methyl]-N-methylacetamide with MolForge

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Related Compounds

2-[(2-chloro-4-fluorophenyl)methylsulfinyl]-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
CID 86923071
N-[2-(2-methoxyphenyl)ethyl]-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylacetamide
CID 110626932
N-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-ethylphenyl)-N-methylacetamide
CID 100773763
3-(4-ethylphenyl)-5-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfinylmethyl]-1,2,4-oxadiazole
CID 78853499
N-[(2-methoxyphenyl)methyl]-N-methylpropanamide
CID 60630949
N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(2-methoxyphenyl)-N-methylmethanamine
CID 26511243
ethyl 2-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]acetate
CID 79474427
N-[(4-ethylphenyl)methyl]-3-[5-[2-(2-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-N-methylpropanamide
CID 25376239
2-(4-ethylphenoxy)-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylbutanamide
CID 132663506
2-[N-(benzenesulfonyl)-4-ethylanilino]-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
CID 92647368
3-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]propanoic acid;hydrochloride
CID 119912306
N-[(2-methoxyphenyl)methyl]-N-methyl-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43930624

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfinyl]-N-[(2-methoxyphenyl)methyl]-N-methylacetamide?
The IUPAC name of 2-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfinyl]-N-[(2-methoxyphenyl)methyl]-N-methylacetamide (CID 78853235) is 2-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfinyl]-N-[(2-methoxyphenyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfinyl]-N-[(2-methoxyphenyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfinyl]-N-[(2-methoxyphenyl)methyl]-N-methylacetamide is CCc1ccc(-c2noc(CS(=O)CC(=O)N(C)Cc3ccccc3OC)n2)cc1.
What is the InChIKey of 2-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfinyl]-N-[(2-methoxyphenyl)methyl]-N-methylacetamide?
The InChIKey is DMLCQGPYYKJRMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4S/c1-4-16-9-11-17(12-10-16)22-23-20(29-24-22)14-30(27)15-21(26)25(2)13-18-7-5-6-8-19(18)28-3/h5-12H,4,13-15H2,1-3H3.
What are the key properties of 2-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfinyl]-N-[(2-methoxyphenyl)methyl]-N-methylacetamide?
2-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfinyl]-N-[(2-methoxyphenyl)methyl]-N-methylacetamide has a molecular weight of 427.53 g/mol, XLogP of 3.21, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfinyl]-N-[(2-methoxyphenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 78853235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).