2-(4-ethoxyphenyl)-N-[2-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]acetamide

C15H19N3O5S — CID 9188749

IUPAC2-(4-ethoxyphenyl)-N-[2-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]acetamide
SMILESCCOc1ccc(CC(=O)NCCc2nnc(S(C)(=O)=O)o2)cc1
InChIInChI=1S/C15H19N3O5S/c1-3-22-12-6-4-11(5-7-12)10-13(19)16-9-8-14-17-18-15(23-14)24(2,20)21/h4-7H,3,8-10H2,1-2H3,(H,16,19)
InChIKeyRYJISAUVGHOQJW-UHFFFAOYSA-N
MW353.40 g/mol
LogP0.77
Rot. Bonds8

About 2-(4-ethoxyphenyl)-N-[2-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]acetamide

2-(4-ethoxyphenyl)-N-[2-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]acetamide (PubChem CID 9188749) has the molecular formula C15H19N3O5S and a molecular weight of 353.40 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-N-[2-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-N-[2-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]acetamide
PubChem CID9188749
Molecular FormulaC15H19N3O5S
Molecular Weight353.40 g/mol
Exact Mass353.10
IUPAC Name2-(4-ethoxyphenyl)-N-[2-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]acetamide
SMILESCCOc1ccc(CC(=O)NCCc2nnc(S(C)(=O)=O)o2)cc1
InChIInChI=1S/C15H19N3O5S/c1-3-22-12-6-4-11(5-7-12)10-13(19)16-9-8-14-17-18-15(23-14)24(2,20)21/h4-7H,3,8-10H2,1-2H3,(H,16,19)
InChIKeyRYJISAUVGHOQJW-UHFFFAOYSA-N
XLogP0.77
TPSA111.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]-2-phenoxyacetamide
CID 9188757
N-[5-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)pentyl]-2-phenylacetamide
CID 9189117
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-ethoxyphenyl)acetamide
CID 17386439
N-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethyl]butanamide
CID 108573115
N-[2-(1,3-benzoxazol-6-yl)ethyl]-2-(4-ethoxyphenyl)acetamide
CID 110796037
N-[2-(5-benzylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]-2-(4-fluorophenyl)acetamide
CID 9190102
N-[2-(dimethylamino)ethyl]-2-(4-ethoxyphenyl)acetamide
CID 110757113
ethyl N-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethyl]carbamate
CID 108573122
N-but-3-enyl-2-(4-ethoxyphenyl)acetamide
CID 113466030
2-(4-ethoxyphenyl)-N-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethyl]acetamide
CID 110641317
2-(4-ethoxyphenyl)-1-[(2S)-2-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]ethanone
CID 11937596
1-(4-fluorophenyl)-N-[2-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]methanesulfonamide
CID 9188614

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-N-[2-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]acetamide?
The IUPAC name of 2-(4-ethoxyphenyl)-N-[2-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]acetamide (CID 9188749) is 2-(4-ethoxyphenyl)-N-[2-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-(4-ethoxyphenyl)-N-[2-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]acetamide?
The canonical SMILES for 2-(4-ethoxyphenyl)-N-[2-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]acetamide is CCOc1ccc(CC(=O)NCCc2nnc(S(C)(=O)=O)o2)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-N-[2-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]acetamide?
The InChIKey is RYJISAUVGHOQJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O5S/c1-3-22-12-6-4-11(5-7-12)10-13(19)16-9-8-14-17-18-15(23-14)24(2,20)21/h4-7H,3,8-10H2,1-2H3,(H,16,19).
What are the key properties of 2-(4-ethoxyphenyl)-N-[2-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]acetamide?
2-(4-ethoxyphenyl)-N-[2-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]acetamide has a molecular weight of 353.40 g/mol, XLogP of 0.77, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-N-[2-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]acetamide is sourced from PubChem (CID 9188749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).