2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-methylacetamide

C15H23N3O3S — CID 36849344

IUPAC2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCN(S(=O)(=O)c2cc(C)ccc2C)CC1
InChIInChI=1S/C15H23N3O3S/c1-12-4-5-13(2)14(10-12)22(20,21)18-8-6-17(7-9-18)11-15(19)16-3/h4-5,10H,6-9,11H2,1-3H3,(H,16,19)
InChIKeyONFOYODHLRHIQU-UHFFFAOYSA-N
MW325.43 g/mol
LogP0.36
Rot. Bonds4

About 2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-methylacetamide

2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-methylacetamide (PubChem CID 36849344) has the molecular formula C15H23N3O3S and a molecular weight of 325.43 g/mol. Its IUPAC name is 2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-methylacetamide
PubChem CID36849344
Molecular FormulaC15H23N3O3S
Molecular Weight325.43 g/mol
Exact Mass325.15
IUPAC Name2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCN(S(=O)(=O)c2cc(C)ccc2C)CC1
InChIInChI=1S/C15H23N3O3S/c1-12-4-5-13(2)14(10-12)22(20,21)18-8-6-17(7-9-18)11-15(19)16-3/h4-5,10H,6-9,11H2,1-3H3,(H,16,19)
InChIKeyONFOYODHLRHIQU-UHFFFAOYSA-N
XLogP0.36
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(2-methylbutan-2-yl)acetamide
CID 8694377
2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-[(2R)-pentan-2-yl]acetamide
CID 8744706
2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 2655698
2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(2-methylpropylcarbamoyl)acetamide
CID 8744306
2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 71903899
2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(2,3,4-trifluorophenyl)acetamide
CID 2088389
2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(2-ethyl-6-methylphenyl)acetamide
CID 2655732
2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(2-methyl-5-nitrophenyl)acetamide
CID 2655724
N'-[2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]acetyl]furan-2-carbohydrazide
CID 8694149
ethyl 2-[[2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]acetyl]amino]-4-methyl-5-(methylcarbamoyl)thiophene-3-carboxylate
CID 4967999
methyl 4-(2,5-dimethylphenyl)sulfonylpiperazine-1-carboxylate
CID 110818496
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 4965557

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-methylacetamide?
The IUPAC name of 2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-methylacetamide (CID 36849344) is 2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-methylacetamide is CNC(=O)CN1CCN(S(=O)(=O)c2cc(C)ccc2C)CC1.
What is the InChIKey of 2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-methylacetamide?
The InChIKey is ONFOYODHLRHIQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S/c1-12-4-5-13(2)14(10-12)22(20,21)18-8-6-17(7-9-18)11-15(19)16-3/h4-5,10H,6-9,11H2,1-3H3,(H,16,19).
What are the key properties of 2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-methylacetamide?
2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-methylacetamide has a molecular weight of 325.43 g/mol, XLogP of 0.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-methylacetamide is sourced from PubChem (CID 36849344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).