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

C19H31N3O3S — CID 8694377

IUPAC2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(2-methylbutan-2-yl)acetamide
SMILESCCC(C)(C)NC(=O)CN1CCN(S(=O)(=O)c2cc(C)ccc2C)CC1
InChIInChI=1S/C19H31N3O3S/c1-6-19(4,5)20-18(23)14-21-9-11-22(12-10-21)26(24,25)17-13-15(2)7-8-16(17)3/h7-8,13H,6,9-12,14H2,1-5H3,(H,20,23)
InChIKeyMBZDGZIHENZYGI-UHFFFAOYSA-N
MW381.54 g/mol
LogP1.91
Rot. Bonds6

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

2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(2-methylbutan-2-yl)acetamide (PubChem CID 8694377) has the molecular formula C19H31N3O3S and a molecular weight of 381.54 g/mol. Its IUPAC name is 2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(2-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(2-methylbutan-2-yl)acetamide
PubChem CID8694377
Molecular FormulaC19H31N3O3S
Molecular Weight381.54 g/mol
Exact Mass381.21
IUPAC Name2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(2-methylbutan-2-yl)acetamide
SMILESCCC(C)(C)NC(=O)CN1CCN(S(=O)(=O)c2cc(C)ccc2C)CC1
InChIInChI=1S/C19H31N3O3S/c1-6-19(4,5)20-18(23)14-21-9-11-22(12-10-21)26(24,25)17-13-15(2)7-8-16(17)3/h7-8,13H,6,9-12,14H2,1-5H3,(H,20,23)
InChIKeyMBZDGZIHENZYGI-UHFFFAOYSA-N
XLogP1.91
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.54
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylbutan-2-yl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 8692203
2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-methylacetamide
CID 36849344
2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-[(2R)-pentan-2-yl]acetamide
CID 8744706
2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-(2-methylbutan-2-yl)acetamide
CID 17448409
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-methylpropylcarbamoyl)acetamide
CID 8744306
2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 2655698
2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(2,3,4-trifluorophenyl)acetamide
CID 2088389
N-(2-methylbutan-2-yl)-2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]acetamide
CID 8597970
N-(2-methylbutan-2-yl)-2-[4-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 30989737
2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(2-methyl-5-nitrophenyl)acetamide
CID 2655724
2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 71903899

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(2-methylbutan-2-yl)acetamide?
The IUPAC name of 2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(2-methylbutan-2-yl)acetamide (CID 8694377) is 2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(2-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(2-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(2-methylbutan-2-yl)acetamide is CCC(C)(C)NC(=O)CN1CCN(S(=O)(=O)c2cc(C)ccc2C)CC1.
What is the InChIKey of 2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(2-methylbutan-2-yl)acetamide?
The InChIKey is MBZDGZIHENZYGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O3S/c1-6-19(4,5)20-18(23)14-21-9-11-22(12-10-21)26(24,25)17-13-15(2)7-8-16(17)3/h7-8,13H,6,9-12,14H2,1-5H3,(H,20,23).
What are the key properties of 2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(2-methylbutan-2-yl)acetamide?
2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(2-methylbutan-2-yl)acetamide has a molecular weight of 381.54 g/mol, XLogP of 1.91, 6 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-(2-methylbutan-2-yl)acetamide is sourced from PubChem (CID 8694377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).