1-[4-[4-[5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]sulfonylpiperazin-1-yl]phenyl]ethanone

C20H18F3N3O4S2 — CID 2813830

IUPAC1-[4-[4-[5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]sulfonylpiperazin-1-yl]phenyl]ethanone
SMILESCC(=O)c1ccc(N2CCN(S(=O)(=O)c3ccc(-c4cc(C(F)(F)F)on4)s3)CC2)cc1
InChIInChI=1S/C20H18F3N3O4S2/c1-13(27)14-2-4-15(5-3-14)25-8-10-26(11-9-25)32(28,29)19-7-6-17(31-19)16-12-18(30-24-16)20(21,22)23/h2-7,12H,8-11H2,1H3
InChIKeyUTKBXGQNPKLNSH-UHFFFAOYSA-N
MW485.51 g/mol
LogP4.14
Rot. Bonds5

About 1-[4-[4-[5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]sulfonylpiperazin-1-yl]phenyl]ethanone

1-[4-[4-[5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]sulfonylpiperazin-1-yl]phenyl]ethanone (PubChem CID 2813830) has the molecular formula C20H18F3N3O4S2 and a molecular weight of 485.51 g/mol. Its IUPAC name is 1-[4-[4-[5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]sulfonylpiperazin-1-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[4-[5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]sulfonylpiperazin-1-yl]phenyl]ethanone
PubChem CID2813830
Molecular FormulaC20H18F3N3O4S2
Molecular Weight485.51 g/mol
Exact Mass485.07
IUPAC Name1-[4-[4-[5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]sulfonylpiperazin-1-yl]phenyl]ethanone
SMILESCC(=O)c1ccc(N2CCN(S(=O)(=O)c3ccc(-c4cc(C(F)(F)F)on4)s3)CC2)cc1
InChIInChI=1S/C20H18F3N3O4S2/c1-13(27)14-2-4-15(5-3-14)25-8-10-26(11-9-25)32(28,29)19-7-6-17(31-19)16-12-18(30-24-16)20(21,22)23/h2-7,12H,8-11H2,1H3
InChIKeyUTKBXGQNPKLNSH-UHFFFAOYSA-N
XLogP4.14
TPSA83.72 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.51
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[4-[4-[5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]sulfonylpiperazin-1-yl]phenyl]ethanone with MolForge

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Related Compounds

N-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]-5-(1,2-oxazol-3-yl)thiophene-2-sulfonamide
CID 10099638
N~2~-ethyl-5-(3-methyl-5-isoxazolyl)-N~2~-phenyl-2-thiophenesulfonamide
CID 16024985
1-[4-(4-{[5-(3-Methyl-1,2-oxazol-5-YL)thiophen-2-YL]sulfonyl}piperazin-1-YL)phenyl]ethan-1-one
CID 16025009
N-methyl-5-(3-methyl-1,2-oxazol-5-yl)-N-(3-methylphenyl)thiophene-2-sulfonamide
CID 16025017
1-(2-Methoxyphenyl)-4-({5-[5-(trifluoromethyl)-1,2-oxazol-3-YL]thiophen-2-YL}sulfonyl)piperazine
CID 16025192
1-(3-Chlorophenyl)-4-({5-[5-(trifluoromethyl)-1,2-oxazol-3-YL]thiophen-2-YL}sulfonyl)piperazine
CID 16025215
1-(2,5-Dimethylphenyl)-4-{[5-(3-methyl-1,2-oxazol-5-YL)thiophen-2-YL]sulfonyl}piperazine
CID 20936213
1-{[5-(3-Methyl-1,2-oxazol-5-YL)thiophen-2-YL]sulfonyl}-4-[3-(trifluoromethyl)phenyl]piperazine
CID 20936242
N-methyl-5-(3-methyl-1,2-oxazol-5-yl)-N-(4-methylphenyl)thiophene-2-sulfonamide
CID 20936282
N-(2-ethylphenyl)-N-methyl-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide
CID 20936309
N-(3,4-dimethylphenyl)-N-methyl-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide
CID 20936311
5-[4-[4-(2-Methylphenyl)piperazin-1-yl]butyl]-3-thiophen-2-yl-1,2-oxazole;hydrochloride
CID 45259631

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]sulfonylpiperazin-1-yl]phenyl]ethanone?
The IUPAC name of 1-[4-[4-[5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]sulfonylpiperazin-1-yl]phenyl]ethanone (CID 2813830) is 1-[4-[4-[5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]sulfonylpiperazin-1-yl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[4-[5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]sulfonylpiperazin-1-yl]phenyl]ethanone?
The canonical SMILES for 1-[4-[4-[5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]sulfonylpiperazin-1-yl]phenyl]ethanone is CC(=O)c1ccc(N2CCN(S(=O)(=O)c3ccc(-c4cc(C(F)(F)F)on4)s3)CC2)cc1.
What is the InChIKey of 1-[4-[4-[5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]sulfonylpiperazin-1-yl]phenyl]ethanone?
The InChIKey is UTKBXGQNPKLNSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N3O4S2/c1-13(27)14-2-4-15(5-3-14)25-8-10-26(11-9-25)32(28,29)19-7-6-17(31-19)16-12-18(30-24-16)20(21,22)23/h2-7,12H,8-11H2,1H3.
What are the key properties of 1-[4-[4-[5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]sulfonylpiperazin-1-yl]phenyl]ethanone?
1-[4-[4-[5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]sulfonylpiperazin-1-yl]phenyl]ethanone has a molecular weight of 485.51 g/mol, XLogP of 4.14, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]sulfonylpiperazin-1-yl]phenyl]ethanone is sourced from PubChem (CID 2813830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).