2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

C18H24N4O4S — CID 2594211

IUPAC2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1ccc(C)c(S(=O)(=O)N2CCN(CC(=O)Nc3cc(C)on3)CC2)c1
InChIInChI=1S/C18H24N4O4S/c1-13-4-5-14(2)16(10-13)27(24,25)22-8-6-21(7-9-22)12-18(23)19-17-11-15(3)26-20-17/h4-5,10-11H,6-9,12H2,1-3H3,(H,19,20,23)
InChIKeyWZDDEBFBOQBCCQ-UHFFFAOYSA-N
MW392.48 g/mol
LogP1.54
Rot. Bonds5

About 2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 2594211) has the molecular formula C18H24N4O4S and a molecular weight of 392.48 g/mol. Its IUPAC name is 2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID2594211
Molecular FormulaC18H24N4O4S
Molecular Weight392.48 g/mol
Exact Mass392.15
IUPAC Name2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1ccc(C)c(S(=O)(=O)N2CCN(CC(=O)Nc3cc(C)on3)CC2)c1
InChIInChI=1S/C18H24N4O4S/c1-13-4-5-14(2)16(10-13)27(24,25)22-8-6-21(7-9-22)12-18(23)19-17-11-15(3)26-20-17/h4-5,10-11H,6-9,12H2,1-3H3,(H,19,20,23)
InChIKeyWZDDEBFBOQBCCQ-UHFFFAOYSA-N
XLogP1.54
TPSA95.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 2594211) is 2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is Cc1ccc(C)c(S(=O)(=O)N2CCN(CC(=O)Nc3cc(C)on3)CC2)c1.
What is the InChIKey of 2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is WZDDEBFBOQBCCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O4S/c1-13-4-5-14(2)16(10-13)27(24,25)22-8-6-21(7-9-22)12-18(23)19-17-11-15(3)26-20-17/h4-5,10-11H,6-9,12H2,1-3H3,(H,19,20,23).
What are the key properties of 2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 392.48 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 2594211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).