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

C16H19ClN4O4S — CID 2406649

IUPAC2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CN2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)no1
InChIInChI=1S/C16H19ClN4O4S/c1-12-10-15(19-25-12)18-16(22)11-20-6-8-21(9-7-20)26(23,24)14-4-2-13(17)3-5-14/h2-5,10H,6-9,11H2,1H3,(H,18,19,22)
InChIKeyWGZGVLWHMUJJTM-UHFFFAOYSA-N
MW398.87 g/mol
LogP1.58
Rot. Bonds5

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

2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 2406649) has the molecular formula C16H19ClN4O4S and a molecular weight of 398.87 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID2406649
Molecular FormulaC16H19ClN4O4S
Molecular Weight398.87 g/mol
Exact Mass398.08
IUPAC Name2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CN2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)no1
InChIInChI=1S/C16H19ClN4O4S/c1-12-10-15(19-25-12)18-16(22)11-20-6-8-21(9-7-20)26(23,24)14-4-2-13(17)3-5-14/h2-5,10H,6-9,11H2,1H3,(H,18,19,22)
InChIKeyWGZGVLWHMUJJTM-UHFFFAOYSA-N
XLogP1.58
TPSA95.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.87
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(3-chlorophenyl)sulfonyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2521899
N-(5-tert-butylisoxazol-3-yl)-2-(4-chlorophenylsulfonyl)-2-methylpropanamide
CID 24856117
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 683178
[2-[(5-Methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 1-(4-chlorophenyl)sulfonylpiperidine-4-carboxylate
CID 2563771
1-[1-(4-Chlorobenzenesulfonyl)pyrrolidin-2-yl]-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 2999686
2-((4-chlorophenyl)sulfonyl)-N-(5-methylisoxazol-3-yl)acetamide
CID 7254252
2-(4-chlorophenylsulfonyl)-2-methyl-N-(5-methylisoxazol-3-yl)propanamide
CID 44569589
2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2594211
3-((4-chlorophenyl)sulfonyl)-N-(5-methylisoxazol-3-yl)propanamide
CID 7254320
2-[(2-fluorophenyl)sulfonyl-(3-methylbutyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2085383
2-[(2-chlorophenyl)methyl-(2-fluorophenyl)sulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2544317
2-[4-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 16364797

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 2406649) is 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is Cc1cc(NC(=O)CN2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)no1.
What is the InChIKey of 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is WGZGVLWHMUJJTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O4S/c1-12-10-15(19-25-12)18-16(22)11-20-6-8-21(9-7-20)26(23,24)14-4-2-13(17)3-5-14/h2-5,10H,6-9,11H2,1H3,(H,18,19,22).
What are the key properties of 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 398.87 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 2406649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).