2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide

C20H22F3N3O4S — CID 3674696

IUPAC2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESCOc1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3ccccc3C(F)(F)F)CC2)cc1
InChIInChI=1S/C20H22F3N3O4S/c1-30-15-6-8-16(9-7-15)31(28,29)26-12-10-25(11-13-26)14-19(27)24-18-5-3-2-4-17(18)20(21,22)23/h2-9H,10-14H2,1H3,(H,24,27)
InChIKeyGZGIQURCTZCXKI-UHFFFAOYSA-N
MW457.47 g/mol
LogP2.66
Rot. Bonds6

About 2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide

2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 3674696) has the molecular formula C20H22F3N3O4S and a molecular weight of 457.47 g/mol. Its IUPAC name is 2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
PubChem CID3674696
Molecular FormulaC20H22F3N3O4S
Molecular Weight457.47 g/mol
Exact Mass457.13
IUPAC Name2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESCOc1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3ccccc3C(F)(F)F)CC2)cc1
InChIInChI=1S/C20H22F3N3O4S/c1-30-15-6-8-16(9-7-15)31(28,29)26-12-10-25(11-13-26)14-19(27)24-18-5-3-2-4-17(18)20(21,22)23/h2-9H,10-14H2,1H3,(H,24,27)
InChIKeyGZGIQURCTZCXKI-UHFFFAOYSA-N
XLogP2.66
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.47
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 1094963
N-[2-(trifluoromethyl)phenyl]-2-[4-[2-(trifluoromethyl)phenyl]sulfonyl-1,4-diazepan-1-yl]acetamide
CID 3722785
2-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 154755930
N-(2,4-difluorophenyl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]acetamide
CID 3480596
2-(4-pyrrolidin-1-ylsulfonylphenoxy)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 45374722
N-(3,5-dimethoxyphenyl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]acetamide
CID 3243841
2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-N-(2-fluorophenyl)acetamide
CID 8746898
N-(4-methoxyphenyl)-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]acetamide
CID 17424565
2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 3241108
N-(3,4-difluorophenyl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]acetamide
CID 3235735
N-(2-methylphenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 7026017
N-(4-acetylphenyl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]acetamide
CID 22200420

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide (CID 3674696) is 2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide is COc1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3ccccc3C(F)(F)F)CC2)cc1.
What is the InChIKey of 2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is GZGIQURCTZCXKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N3O4S/c1-30-15-6-8-16(9-7-15)31(28,29)26-12-10-25(11-13-26)14-19(27)24-18-5-3-2-4-17(18)20(21,22)23/h2-9H,10-14H2,1H3,(H,24,27).
What are the key properties of 2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide?
2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 457.47 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 3674696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).