[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-[2-(trifluoromethylsulfanyl)phenyl]methanone

C21H17F3N2O3S — CID 32540990

IUPAC[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-[2-(trifluoromethylsulfanyl)phenyl]methanone
SMILESO=C(c1cc2ccccc2o1)N1CCN(C(=O)c2ccccc2SC(F)(F)F)CC1
InChIInChI=1S/C21H17F3N2O3S/c22-21(23,24)30-18-8-4-2-6-15(18)19(27)25-9-11-26(12-10-25)20(28)17-13-14-5-1-3-7-16(14)29-17/h1-8,13H,9-12H2
InChIKeyOOQNUTCBEZSELV-UHFFFAOYSA-N
MW434.44 g/mol
LogP4.64
Rot. Bonds3

About [4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-[2-(trifluoromethylsulfanyl)phenyl]methanone

[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-[2-(trifluoromethylsulfanyl)phenyl]methanone (PubChem CID 32540990) has the molecular formula C21H17F3N2O3S and a molecular weight of 434.44 g/mol. Its IUPAC name is [4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-[2-(trifluoromethylsulfanyl)phenyl]methanone.

Molecular Properties

Compound Name[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-[2-(trifluoromethylsulfanyl)phenyl]methanone
PubChem CID32540990
Molecular FormulaC21H17F3N2O3S
Molecular Weight434.44 g/mol
Exact Mass434.09
IUPAC Name[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-[2-(trifluoromethylsulfanyl)phenyl]methanone
SMILESO=C(c1cc2ccccc2o1)N1CCN(C(=O)c2ccccc2SC(F)(F)F)CC1
InChIInChI=1S/C21H17F3N2O3S/c22-21(23,24)30-18-8-4-2-6-15(18)19(27)25-9-11-26(12-10-25)20(28)17-13-14-5-1-3-7-16(14)29-17/h1-8,13H,9-12H2
InChIKeyOOQNUTCBEZSELV-UHFFFAOYSA-N
XLogP4.64
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.44
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-[2-(trifluoromethylsulfanyl)phenyl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-(2-hydroxyphenyl)methanone
CID 166230750
[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-(2-sulfanylidene-1H-pyridin-3-yl)methanone
CID 46416874
1-benzofuran-2-yl-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 2575317
ethyl 4-(1-benzofuran-2-carbonyl)piperazine-1-carboxylate
CID 6457707
[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-[2-(trifluoromethylsulfanyl)phenyl]methanone
CID 55634871
1-benzofuran-2-yl-(4-methylpiperazin-4-ium-1-yl)methanone
CID 7640327
1-benzofuran-2-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 2707484
1-benzofuran-2-yl-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]methanone
CID 79403971
[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-(1-oxidopyridin-1-ium-2-yl)methanone
CID 167853128
(3-aminoazetidin-1-yl)-(1-benzofuran-2-yl)methanone
CID 63755277
2-[4-[2-(trifluoromethyl)benzoyl]piperazine-1-carbonyl]chromen-4-one
CID 55620728
1-benzofuran-2-yl-[4-(chloromethyl)piperidin-1-yl]methanone
CID 55188193

Frequently Asked Questions

What is the IUPAC name of [4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-[2-(trifluoromethylsulfanyl)phenyl]methanone?
The IUPAC name of [4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-[2-(trifluoromethylsulfanyl)phenyl]methanone (CID 32540990) is [4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-[2-(trifluoromethylsulfanyl)phenyl]methanone.
What is the SMILES notation for [4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-[2-(trifluoromethylsulfanyl)phenyl]methanone?
The canonical SMILES for [4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-[2-(trifluoromethylsulfanyl)phenyl]methanone is O=C(c1cc2ccccc2o1)N1CCN(C(=O)c2ccccc2SC(F)(F)F)CC1.
What is the InChIKey of [4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-[2-(trifluoromethylsulfanyl)phenyl]methanone?
The InChIKey is OOQNUTCBEZSELV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N2O3S/c22-21(23,24)30-18-8-4-2-6-15(18)19(27)25-9-11-26(12-10-25)20(28)17-13-14-5-1-3-7-16(14)29-17/h1-8,13H,9-12H2.
What are the key properties of [4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-[2-(trifluoromethylsulfanyl)phenyl]methanone?
[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-[2-(trifluoromethylsulfanyl)phenyl]methanone has a molecular weight of 434.44 g/mol, XLogP of 4.64, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-[2-(trifluoromethylsulfanyl)phenyl]methanone is sourced from PubChem (CID 32540990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).