N-(2-methylbutan-2-yl)-2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]acetamide

C18H26F3N3O3S — CID 8597970

IUPACN-(2-methylbutan-2-yl)-2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]acetamide
SMILESCCC(C)(C)NC(=O)CN1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C18H26F3N3O3S/c1-4-17(2,3)22-16(25)13-23-9-11-24(12-10-23)28(26,27)15-7-5-14(6-8-15)18(19,20)21/h5-8H,4,9-13H2,1-3H3,(H,22,25)
InChIKeyPVEXWVFPQLCONF-UHFFFAOYSA-N
MW421.49 g/mol
LogP2.32
Rot. Bonds6

About N-(2-methylbutan-2-yl)-2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]acetamide

N-(2-methylbutan-2-yl)-2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]acetamide (PubChem CID 8597970) has the molecular formula C18H26F3N3O3S and a molecular weight of 421.49 g/mol. Its IUPAC name is N-(2-methylbutan-2-yl)-2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-methylbutan-2-yl)-2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]acetamide
PubChem CID8597970
Molecular FormulaC18H26F3N3O3S
Molecular Weight421.49 g/mol
Exact Mass421.16
IUPAC NameN-(2-methylbutan-2-yl)-2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]acetamide
SMILESCCC(C)(C)NC(=O)CN1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C18H26F3N3O3S/c1-4-17(2,3)22-16(25)13-23-9-11-24(12-10-23)28(26,27)15-7-5-14(6-8-15)18(19,20)21/h5-8H,4,9-13H2,1-3H3,(H,22,25)
InChIKeyPVEXWVFPQLCONF-UHFFFAOYSA-N
XLogP2.32
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.49
LogP ≤ 52.32
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
N-(2-methylbutan-2-yl)-2-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]acetamide
CID 26626370
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-methylbutan-2-yl)acetamide
CID 8694377
N-(2-methylbutan-2-yl)-2-[4-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 30989737
methyl 2-methyl-2-[[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetyl]amino]propanoate
CID 55911424
N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 39724550
N-(2-methylbutan-2-yl)-2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]acetamide
CID 18088722
1-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]propan-2-one
CID 110665639
N-ethyl-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]acetamide
CID 37307613
N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]-4-(trifluoromethyl)benzamide
CID 20933692
N-(thiophen-2-ylmethylcarbamoyl)-2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]acetamide
CID 26305798

Frequently Asked Questions

What is the IUPAC name of N-(2-methylbutan-2-yl)-2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]acetamide?
The IUPAC name of N-(2-methylbutan-2-yl)-2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]acetamide (CID 8597970) is N-(2-methylbutan-2-yl)-2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]acetamide.
What is the SMILES notation for N-(2-methylbutan-2-yl)-2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]acetamide?
The canonical SMILES for N-(2-methylbutan-2-yl)-2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]acetamide is CCC(C)(C)NC(=O)CN1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of N-(2-methylbutan-2-yl)-2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]acetamide?
The InChIKey is PVEXWVFPQLCONF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26F3N3O3S/c1-4-17(2,3)22-16(25)13-23-9-11-24(12-10-23)28(26,27)15-7-5-14(6-8-15)18(19,20)21/h5-8H,4,9-13H2,1-3H3,(H,22,25).
What are the key properties of N-(2-methylbutan-2-yl)-2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]acetamide?
N-(2-methylbutan-2-yl)-2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]acetamide has a molecular weight of 421.49 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylbutan-2-yl)-2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]acetamide is sourced from PubChem (CID 8597970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).