N-(4-acetylphenyl)-2-[[5-[(2-methoxyphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

C20H19N3O5S — CID 92644901

IUPACN-(4-acetylphenyl)-2-[[5-[(2-methoxyphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCOc1ccccc1OCc1nnc(SCC(=O)Nc2ccc(C(C)=O)cc2)o1
InChIInChI=1S/C20H19N3O5S/c1-13(24)14-7-9-15(10-8-14)21-18(25)12-29-20-23-22-19(28-20)11-27-17-6-4-3-5-16(17)26-2/h3-10H,11-12H2,1-2H3,(H,21,25)
InChIKeyCFIMJOAVNMCWOP-UHFFFAOYSA-N
MW413.46 g/mol
LogP3.59
Rot. Bonds9

About N-(4-acetylphenyl)-2-[[5-[(2-methoxyphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

N-(4-acetylphenyl)-2-[[5-[(2-methoxyphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (PubChem CID 92644901) has the molecular formula C20H19N3O5S and a molecular weight of 413.46 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-[[5-[(2-methoxyphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-[[5-[(2-methoxyphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
PubChem CID92644901
Molecular FormulaC20H19N3O5S
Molecular Weight413.46 g/mol
Exact Mass413.10
IUPAC NameN-(4-acetylphenyl)-2-[[5-[(2-methoxyphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCOc1ccccc1OCc1nnc(SCC(=O)Nc2ccc(C(C)=O)cc2)o1
InChIInChI=1S/C20H19N3O5S/c1-13(24)14-7-9-15(10-8-14)21-18(25)12-29-20-23-22-19(28-20)11-27-17-6-4-3-5-16(17)26-2/h3-10H,11-12H2,1-2H3,(H,21,25)
InChIKeyCFIMJOAVNMCWOP-UHFFFAOYSA-N
XLogP3.59
TPSA103.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.46
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-[[5-[(2-methoxyphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-(4-acetylphenyl)-2-[[5-[(2-methoxyphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (CID 92644901) is N-(4-acetylphenyl)-2-[[5-[(2-methoxyphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-[[5-[(2-methoxyphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-(4-acetylphenyl)-2-[[5-[(2-methoxyphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is COc1ccccc1OCc1nnc(SCC(=O)Nc2ccc(C(C)=O)cc2)o1.
What is the InChIKey of N-(4-acetylphenyl)-2-[[5-[(2-methoxyphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is CFIMJOAVNMCWOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O5S/c1-13(24)14-7-9-15(10-8-14)21-18(25)12-29-20-23-22-19(28-20)11-27-17-6-4-3-5-16(17)26-2/h3-10H,11-12H2,1-2H3,(H,21,25).
What are the key properties of N-(4-acetylphenyl)-2-[[5-[(2-methoxyphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
N-(4-acetylphenyl)-2-[[5-[(2-methoxyphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 413.46 g/mol, XLogP of 3.59, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-[[5-[(2-methoxyphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 92644901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).