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

C21H24F3N3O4S — CID 22578894

IUPACN-[2-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylethyl]-3-(trifluoromethyl)benzamide
SMILESCOc1ccccc1N1CCN(S(=O)(=O)CCNC(=O)c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C21H24F3N3O4S/c1-31-19-8-3-2-7-18(19)26-10-12-27(13-11-26)32(29,30)14-9-25-20(28)16-5-4-6-17(15-16)21(22,23)24/h2-8,15H,9-14H2,1H3,(H,25,28)
InChIKeyVGFJGTONOOAWKA-UHFFFAOYSA-N
MW471.50 g/mol
LogP2.60
Rot. Bonds7

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

N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylethyl]-3-(trifluoromethyl)benzamide (PubChem CID 22578894) has the molecular formula C21H24F3N3O4S and a molecular weight of 471.50 g/mol. Its IUPAC name is N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylethyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylethyl]-3-(trifluoromethyl)benzamide
PubChem CID22578894
Molecular FormulaC21H24F3N3O4S
Molecular Weight471.50 g/mol
Exact Mass471.14
IUPAC NameN-[2-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylethyl]-3-(trifluoromethyl)benzamide
SMILESCOc1ccccc1N1CCN(S(=O)(=O)CCNC(=O)c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C21H24F3N3O4S/c1-31-19-8-3-2-7-18(19)26-10-12-27(13-11-26)32(29,30)14-9-25-20(28)16-5-4-6-17(15-16)21(22,23)24/h2-8,15H,9-14H2,1H3,(H,25,28)
InChIKeyVGFJGTONOOAWKA-UHFFFAOYSA-N
XLogP2.60
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.50
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-phenylpiperazin-1-yl)sulfonylethyl]-3-(trifluoromethyl)benzamide
CID 16801528
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-(2-methoxyphenyl)piperazin-1-yl]sulfonylethyl]naphthalene-1-carboxamide
CID 22578896
3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 46043451
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylethyl]-1-benzofuran-2-carboxamide
CID 16825869
5-bromo-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylethyl]furan-2-carboxamide
CID 22578905
2-methyl-N-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylethyl]benzamide
CID 41349575
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylethyl]adamantane-1-carboxamide
CID 24790968
1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone
CID 2597909
N-[(2-methoxyphenyl)methyl]-3-(trifluoromethyl)benzamide
CID 2713294
2-propyl-N-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylethyl]pentanamide
CID 41349548

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylethyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylethyl]-3-(trifluoromethyl)benzamide (CID 22578894) is N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylethyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylethyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylethyl]-3-(trifluoromethyl)benzamide is COc1ccccc1N1CCN(S(=O)(=O)CCNC(=O)c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylethyl]-3-(trifluoromethyl)benzamide?
The InChIKey is VGFJGTONOOAWKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F3N3O4S/c1-31-19-8-3-2-7-18(19)26-10-12-27(13-11-26)32(29,30)14-9-25-20(28)16-5-4-6-17(15-16)21(22,23)24/h2-8,15H,9-14H2,1H3,(H,25,28).
What are the key properties of N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylethyl]-3-(trifluoromethyl)benzamide?
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylethyl]-3-(trifluoromethyl)benzamide has a molecular weight of 471.50 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylethyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 22578894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).