N-methyl-N-phenyl-2-[4-[2-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]acetamide

C20H22F3N3O4S — CID 3820684

IUPACN-methyl-N-phenyl-2-[4-[2-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]acetamide
SMILESCN(C(=O)CN1CCN(S(=O)(=O)c2ccccc2OC(F)(F)F)CC1)c1ccccc1
InChIInChI=1S/C20H22F3N3O4S/c1-24(16-7-3-2-4-8-16)19(27)15-25-11-13-26(14-12-25)31(28,29)18-10-6-5-9-17(18)30-20(21,22)23/h2-10H,11-15H2,1H3
InChIKeyNTKDEHLKTZJSAD-UHFFFAOYSA-N
MW457.47 g/mol
LogP2.55
Rot. Bonds6

About N-methyl-N-phenyl-2-[4-[2-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]acetamide

N-methyl-N-phenyl-2-[4-[2-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]acetamide (PubChem CID 3820684) has the molecular formula C20H22F3N3O4S and a molecular weight of 457.47 g/mol. Its IUPAC name is N-methyl-N-phenyl-2-[4-[2-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-methyl-N-phenyl-2-[4-[2-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]acetamide
PubChem CID3820684
Molecular FormulaC20H22F3N3O4S
Molecular Weight457.47 g/mol
Exact Mass457.13
IUPAC NameN-methyl-N-phenyl-2-[4-[2-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]acetamide
SMILESCN(C(=O)CN1CCN(S(=O)(=O)c2ccccc2OC(F)(F)F)CC1)c1ccccc1
InChIInChI=1S/C20H22F3N3O4S/c1-24(16-7-3-2-4-8-16)19(27)15-25-11-13-26(14-12-25)31(28,29)18-10-6-5-9-17(18)30-20(21,22)23/h2-10H,11-15H2,1H3
InChIKeyNTKDEHLKTZJSAD-UHFFFAOYSA-N
XLogP2.55
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.47
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-methyl-N-phenylacetamide
CID 40702187
N-methyl-N-phenyl-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]acetamide
CID 27183288
1-[(4-tert-butylphenyl)methyl]-4-[2-(trifluoromethoxy)phenyl]sulfonylpiperazine
CID 3548702
1-(2,4-dimethylphenyl)sulfonyl-4-[2-(trifluoromethoxy)phenyl]sulfonylpiperazine
CID 55512284
(3S)-1-[2-(trifluoromethoxy)phenyl]sulfonylpyrrolidine-3-carboxylic acid
CID 125118541
2,6-dimethyl-4-[4-[2-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]sulfonylmorpholine
CID 55601255
N-methyl-1-[2-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide
CID 31109375
1-[(S)-(4-methylphenyl)-phenylmethyl]-4-[2-(trifluoromethoxy)phenyl]sulfonylpiperazine
CID 92772886
2-(4-benzylpiperazin-1-yl)-N-methyl-N-phenylacetamide
CID 44768291
N-(2-cyanopropan-2-yl)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-methylacetamide
CID 8690260
(2-fluorophenyl)-[4-[2-(trifluoromethoxy)phenyl]sulfonyl-1,4-diazepan-1-yl]methanone
CID 78849520
3-[4-[2-(N-methylanilino)-2-oxoethyl]piperazin-1-yl]propanoic acid
CID 134069440

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-phenyl-2-[4-[2-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]acetamide?
The IUPAC name of N-methyl-N-phenyl-2-[4-[2-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]acetamide (CID 3820684) is N-methyl-N-phenyl-2-[4-[2-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]acetamide.
What is the SMILES notation for N-methyl-N-phenyl-2-[4-[2-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]acetamide?
The canonical SMILES for N-methyl-N-phenyl-2-[4-[2-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]acetamide is CN(C(=O)CN1CCN(S(=O)(=O)c2ccccc2OC(F)(F)F)CC1)c1ccccc1.
What is the InChIKey of N-methyl-N-phenyl-2-[4-[2-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]acetamide?
The InChIKey is NTKDEHLKTZJSAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N3O4S/c1-24(16-7-3-2-4-8-16)19(27)15-25-11-13-26(14-12-25)31(28,29)18-10-6-5-9-17(18)30-20(21,22)23/h2-10H,11-15H2,1H3.
What are the key properties of N-methyl-N-phenyl-2-[4-[2-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]acetamide?
N-methyl-N-phenyl-2-[4-[2-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]acetamide has a molecular weight of 457.47 g/mol, XLogP of 2.55, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-phenyl-2-[4-[2-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]acetamide is sourced from PubChem (CID 3820684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).