2-propyl-N-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylethyl]pentanamide

C21H32F3N3O3S — CID 41349548

IUPAC2-propyl-N-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylethyl]pentanamide
SMILESCCCC(CCC)C(=O)NCCS(=O)(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C21H32F3N3O3S/c1-3-6-17(7-4-2)20(28)25-10-15-31(29,30)27-13-11-26(12-14-27)19-9-5-8-18(16-19)21(22,23)24/h5,8-9,16-17H,3-4,6-7,10-15H2,1-2H3,(H,25,28)
InChIKeyZYMZWGJSQUCNJE-UHFFFAOYSA-N
MW463.57 g/mol
LogP3.49
Rot. Bonds10

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

2-propyl-N-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylethyl]pentanamide (PubChem CID 41349548) has the molecular formula C21H32F3N3O3S and a molecular weight of 463.57 g/mol. Its IUPAC name is 2-propyl-N-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylethyl]pentanamide.

Molecular Properties

Compound Name2-propyl-N-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylethyl]pentanamide
PubChem CID41349548
Molecular FormulaC21H32F3N3O3S
Molecular Weight463.57 g/mol
Exact Mass463.21
IUPAC Name2-propyl-N-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylethyl]pentanamide
SMILESCCCC(CCC)C(=O)NCCS(=O)(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C21H32F3N3O3S/c1-3-6-17(7-4-2)20(28)25-10-15-31(29,30)27-13-11-26(12-14-27)19-9-5-8-18(16-19)21(22,23)24/h5,8-9,16-17H,3-4,6-7,10-15H2,1-2H3,(H,25,28)
InChIKeyZYMZWGJSQUCNJE-UHFFFAOYSA-N
XLogP3.49
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.57
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylethyl]benzamide
CID 41349575
3-methyl-N-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylethyl]benzamide
CID 41349576
2-methoxy-N-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylethyl]benzamide
CID 41349582
N-[2-(4-phenylpiperazin-1-yl)sulfonylethyl]-3-(trifluoromethyl)benzamide
CID 16801528
N-[2-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylethyl]-2-propylpentanamide
CID 41349364
4-phenyl-N-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylethyl]butanamide
CID 41349663
2-oxo-N-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylethyl]chromene-3-carboxamide
CID 41349669
(2R)-N-propyl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide
CID 9459892
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylethyl]propanamide
CID 18565368
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylethyl]-3-(trifluoromethyl)benzamide
CID 22578894
2-chloro-N-[2-(4-phenylpiperazin-1-yl)sulfonylethyl]propanamide
CID 44961224
1-[3-(trifluoromethyl)phenyl]-4-[4-(trifluoromethyl)phenyl]sulfonylpiperazine
CID 32937290

Frequently Asked Questions

What is the IUPAC name of 2-propyl-N-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylethyl]pentanamide?
The IUPAC name of 2-propyl-N-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylethyl]pentanamide (CID 41349548) is 2-propyl-N-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylethyl]pentanamide.
What is the SMILES notation for 2-propyl-N-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylethyl]pentanamide?
The canonical SMILES for 2-propyl-N-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylethyl]pentanamide is CCCC(CCC)C(=O)NCCS(=O)(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of 2-propyl-N-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylethyl]pentanamide?
The InChIKey is ZYMZWGJSQUCNJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32F3N3O3S/c1-3-6-17(7-4-2)20(28)25-10-15-31(29,30)27-13-11-26(12-14-27)19-9-5-8-18(16-19)21(22,23)24/h5,8-9,16-17H,3-4,6-7,10-15H2,1-2H3,(H,25,28).
What are the key properties of 2-propyl-N-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylethyl]pentanamide?
2-propyl-N-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylethyl]pentanamide has a molecular weight of 463.57 g/mol, XLogP of 3.49, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-N-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylethyl]pentanamide is sourced from PubChem (CID 41349548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).