2-methyl-N-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylethyl]benzamide

C21H24F3N3O3S — CID 41349575

IUPAC2-methyl-N-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylethyl]benzamide
SMILESCc1ccccc1C(=O)NCCS(=O)(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C21H24F3N3O3S/c1-16-5-2-3-8-19(16)20(28)25-9-14-31(29,30)27-12-10-26(11-13-27)18-7-4-6-17(15-18)21(22,23)24/h2-8,15H,9-14H2,1H3,(H,25,28)
InChIKeyBCVWEFPDMMDBGU-UHFFFAOYSA-N
MW455.50 g/mol
LogP2.90
Rot. Bonds6

About 2-methyl-N-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylethyl]benzamide

2-methyl-N-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylethyl]benzamide (PubChem CID 41349575) has the molecular formula C21H24F3N3O3S and a molecular weight of 455.50 g/mol. Its IUPAC name is 2-methyl-N-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylethyl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylethyl]benzamide
PubChem CID41349575
Molecular FormulaC21H24F3N3O3S
Molecular Weight455.50 g/mol
Exact Mass455.15
IUPAC Name2-methyl-N-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylethyl]benzamide
SMILESCc1ccccc1C(=O)NCCS(=O)(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C21H24F3N3O3S/c1-16-5-2-3-8-19(16)20(28)25-9-14-31(29,30)27-12-10-26(11-13-27)18-7-4-6-17(15-18)21(22,23)24/h2-8,15H,9-14H2,1H3,(H,25,28)
InChIKeyBCVWEFPDMMDBGU-UHFFFAOYSA-N
XLogP2.90
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.50
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-N-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylethyl]benzamide
CID 41349582
3-methyl-N-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylethyl]benzamide
CID 41349576
N-[2-(4-phenylpiperazin-1-yl)sulfonylethyl]-3-(trifluoromethyl)benzamide
CID 16801528
2-propyl-N-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylethyl]pentanamide
CID 41349548
2-oxo-N-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylethyl]chromene-3-carboxamide
CID 41349669
2-methyl-N-(2-pyrrolidin-1-ylsulfonylethyl)benzamide
CID 110345334
4-phenyl-N-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylethyl]butanamide
CID 41349663
N-[2-(azepan-1-ylsulfonyl)ethyl]-2-methylbenzamide
CID 110346004
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylethyl]-3-(trifluoromethyl)benzamide
CID 22578894
2-methyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzamide
CID 141132168
2-(3-methylphenyl)-N-[2-(4-phenylpiperazin-1-yl)sulfonylethyl]acetamide
CID 7188820
N-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylethyl]naphthalene-1-carboxamide
CID 41349937

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylethyl]benzamide?
The IUPAC name of 2-methyl-N-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylethyl]benzamide (CID 41349575) is 2-methyl-N-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylethyl]benzamide.
What is the SMILES notation for 2-methyl-N-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylethyl]benzamide?
The canonical SMILES for 2-methyl-N-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylethyl]benzamide is Cc1ccccc1C(=O)NCCS(=O)(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of 2-methyl-N-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylethyl]benzamide?
The InChIKey is BCVWEFPDMMDBGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F3N3O3S/c1-16-5-2-3-8-19(16)20(28)25-9-14-31(29,30)27-12-10-26(11-13-27)18-7-4-6-17(15-18)21(22,23)24/h2-8,15H,9-14H2,1H3,(H,25,28).
What are the key properties of 2-methyl-N-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylethyl]benzamide?
2-methyl-N-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylethyl]benzamide has a molecular weight of 455.50 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylethyl]benzamide is sourced from PubChem (CID 41349575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).