2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]acetamide

C22H25N5O4S2 — CID 4222932

IUPAC2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]acetamide
SMILESCc1ccc(-c2nnc(SCC(=O)Nc3ccccc3N3CCN(S(C)(=O)=O)CC3)o2)cc1
InChIInChI=1S/C22H25N5O4S2/c1-16-7-9-17(10-8-16)21-24-25-22(31-21)32-15-20(28)23-18-5-3-4-6-19(18)26-11-13-27(14-12-26)33(2,29)30/h3-10H,11-15H2,1-2H3,(H,23,28)
InChIKeyJAKVCQHOPWYKME-UHFFFAOYSA-N
MW487.61 g/mol
LogP2.86
Rot. Bonds7

About 2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]acetamide

2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]acetamide (PubChem CID 4222932) has the molecular formula C22H25N5O4S2 and a molecular weight of 487.61 g/mol. Its IUPAC name is 2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]acetamide
PubChem CID4222932
Molecular FormulaC22H25N5O4S2
Molecular Weight487.61 g/mol
Exact Mass487.13
IUPAC Name2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]acetamide
SMILESCc1ccc(-c2nnc(SCC(=O)Nc3ccccc3N3CCN(S(C)(=O)=O)CC3)o2)cc1
InChIInChI=1S/C22H25N5O4S2/c1-16-7-9-17(10-8-16)21-24-25-22(31-21)32-15-20(28)23-18-5-3-4-6-19(18)26-11-13-27(14-12-26)33(2,29)30/h3-10H,11-15H2,1-2H3,(H,23,28)
InChIKeyJAKVCQHOPWYKME-UHFFFAOYSA-N
XLogP2.86
TPSA108.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.61
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]acetamide
CID 4274050
2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 3440507
2-[[5-[4-(ethylsulfonylamino)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-piperidin-1-ylphenyl)acetamide
CID 5079203
N-[2-(4-ethylpiperazin-1-yl)phenyl]-2-[(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 4044383
N-(2,3-dimethylphenyl)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 1119483
N-(2,3-dichlorophenyl)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 7817054
N-(2-morpholin-4-ylphenyl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 3970288
2-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methylsulfonylphenyl)acetamide
CID 24500361
2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[2-(4-prop-2-ynylpiperazin-1-yl)phenyl]acetamide
CID 4555020
2-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 3918343
N-(4-bromo-2,3-dimethylphenyl)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 1289761
2-chloro-N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]acetamide
CID 8559994

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]acetamide?
The IUPAC name of 2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]acetamide (CID 4222932) is 2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]acetamide?
The canonical SMILES for 2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]acetamide is Cc1ccc(-c2nnc(SCC(=O)Nc3ccccc3N3CCN(S(C)(=O)=O)CC3)o2)cc1.
What is the InChIKey of 2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]acetamide?
The InChIKey is JAKVCQHOPWYKME-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O4S2/c1-16-7-9-17(10-8-16)21-24-25-22(31-21)32-15-20(28)23-18-5-3-4-6-19(18)26-11-13-27(14-12-26)33(2,29)30/h3-10H,11-15H2,1-2H3,(H,23,28).
What are the key properties of 2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]acetamide?
2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]acetamide has a molecular weight of 487.61 g/mol, XLogP of 2.86, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]acetamide is sourced from PubChem (CID 4222932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).