N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]-2-[4-(trifluoromethyl)phenyl]acetamide

C21H24F3N3O3S — CID 39724550

IUPACN-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESCCN1CCN(S(=O)(=O)c2ccc(NC(=O)Cc3ccc(C(F)(F)F)cc3)cc2)CC1
InChIInChI=1S/C21H24F3N3O3S/c1-2-26-11-13-27(14-12-26)31(29,30)19-9-7-18(8-10-19)25-20(28)15-16-3-5-17(6-4-16)21(22,23)24/h3-10H,2,11-15H2,1H3,(H,25,28)
InChIKeyASYFVYYNURVBFQ-UHFFFAOYSA-N
MW455.50 g/mol
LogP3.21
Rot. Bonds6

About N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]-2-[4-(trifluoromethyl)phenyl]acetamide

N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]-2-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 39724550) has the molecular formula C21H24F3N3O3S and a molecular weight of 455.50 g/mol. Its IUPAC name is N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]-2-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]-2-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID39724550
Molecular FormulaC21H24F3N3O3S
Molecular Weight455.50 g/mol
Exact Mass455.15
IUPAC NameN-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESCCN1CCN(S(=O)(=O)c2ccc(NC(=O)Cc3ccc(C(F)(F)F)cc3)cc2)CC1
InChIInChI=1S/C21H24F3N3O3S/c1-2-26-11-13-27(14-12-26)31(29,30)19-9-7-18(8-10-19)25-20(28)15-16-3-5-17(6-4-16)21(22,23)24/h3-10H,2,11-15H2,1H3,(H,25,28)
InChIKeyASYFVYYNURVBFQ-UHFFFAOYSA-N
XLogP3.21
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 ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylbutan-2-yl)-2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]acetamide
CID 8597970
N-(4-ethylphenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 8747486
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-methylphenyl)acetamide
CID 1291427
N-[6-chloro-2-[4-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinolin-5-yl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 59585776
N-(4-acetamidophenyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 51271866
N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]-3-(4-fluorophenoxy)propanamide
CID 55596310
N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 24535056
4-[[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methyl]benzamide
CID 34702019
(4-ethylphenyl)-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone
CID 26181741
N-ethyl-4-(4-ethylpiperazin-1-yl)sulfonylaniline
CID 62149446
2-(4-ethylpiperazin-1-yl)-2-oxo-N-[4-(trifluoromethyl)phenyl]acetamide
CID 87039943
N-[4-[[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 55375941

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]-2-[4-(trifluoromethyl)phenyl]acetamide (CID 39724550) is N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]-2-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]-2-[4-(trifluoromethyl)phenyl]acetamide is CCN1CCN(S(=O)(=O)c2ccc(NC(=O)Cc3ccc(C(F)(F)F)cc3)cc2)CC1.
What is the InChIKey of N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is ASYFVYYNURVBFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F3N3O3S/c1-2-26-11-13-27(14-12-26)31(29,30)19-9-7-18(8-10-19)25-20(28)15-16-3-5-17(6-4-16)21(22,23)24/h3-10H,2,11-15H2,1H3,(H,25,28).
What are the key properties of N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]-2-[4-(trifluoromethyl)phenyl]acetamide?
N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]-2-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 455.50 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]-2-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 39724550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).