2-[[2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-methylamino]-N-(4-methylphenyl)acetamide

C22H24N4O4S — CID 24686082

IUPAC2-[[2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-methylamino]-N-(4-methylphenyl)acetamide
SMILESCOc1ccc(Cc2nnc(SCC(=O)N(C)CC(=O)Nc3ccc(C)cc3)o2)cc1
InChIInChI=1S/C22H24N4O4S/c1-15-4-8-17(9-5-15)23-19(27)13-26(2)21(28)14-31-22-25-24-20(30-22)12-16-6-10-18(29-3)11-7-16/h4-11H,12-14H2,1-3H3,(H,23,27)
InChIKeyIPLOGAVEDBGLPZ-UHFFFAOYSA-N
MW440.53 g/mol
LogP3.17
Rot. Bonds9

About 2-[[2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-methylamino]-N-(4-methylphenyl)acetamide

2-[[2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-methylamino]-N-(4-methylphenyl)acetamide (PubChem CID 24686082) has the molecular formula C22H24N4O4S and a molecular weight of 440.53 g/mol. Its IUPAC name is 2-[[2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-methylamino]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-methylamino]-N-(4-methylphenyl)acetamide
PubChem CID24686082
Molecular FormulaC22H24N4O4S
Molecular Weight440.53 g/mol
Exact Mass440.15
IUPAC Name2-[[2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-methylamino]-N-(4-methylphenyl)acetamide
SMILESCOc1ccc(Cc2nnc(SCC(=O)N(C)CC(=O)Nc3ccc(C)cc3)o2)cc1
InChIInChI=1S/C22H24N4O4S/c1-15-4-8-17(9-5-15)23-19(27)13-26(2)21(28)14-31-22-25-24-20(30-22)12-16-6-10-18(29-3)11-7-16/h4-11H,12-14H2,1-3H3,(H,23,27)
InChIKeyIPLOGAVEDBGLPZ-UHFFFAOYSA-N
XLogP3.17
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.53
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-methylamino]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[[2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-methylamino]-N-(4-methylphenyl)acetamide (CID 24686082) is 2-[[2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-methylamino]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[[2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-methylamino]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[[2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-methylamino]-N-(4-methylphenyl)acetamide is COc1ccc(Cc2nnc(SCC(=O)N(C)CC(=O)Nc3ccc(C)cc3)o2)cc1.
What is the InChIKey of 2-[[2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-methylamino]-N-(4-methylphenyl)acetamide?
The InChIKey is IPLOGAVEDBGLPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O4S/c1-15-4-8-17(9-5-15)23-19(27)13-26(2)21(28)14-31-22-25-24-20(30-22)12-16-6-10-18(29-3)11-7-16/h4-11H,12-14H2,1-3H3,(H,23,27).
What are the key properties of 2-[[2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-methylamino]-N-(4-methylphenyl)acetamide?
2-[[2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-methylamino]-N-(4-methylphenyl)acetamide has a molecular weight of 440.53 g/mol, XLogP of 3.17, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-methylamino]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 24686082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).