(5-fluoro-3-methoxy-1-benzothiophen-2-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone

C20H18F2N2O2S — CID 50846112

IUPAC(5-fluoro-3-methoxy-1-benzothiophen-2-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
SMILESCOc1c(C(=O)N2CCN(c3ccccc3F)CC2)sc2ccc(F)cc12
InChIInChI=1S/C20H18F2N2O2S/c1-26-18-14-12-13(21)6-7-17(14)27-19(18)20(25)24-10-8-23(9-11-24)16-5-3-2-4-15(16)22/h2-7,12H,8-11H2,1H3
InChIKeyTVPQMHQZPGHAHA-UHFFFAOYSA-N
MW388.44 g/mol
LogP4.15
Rot. Bonds3

About (5-fluoro-3-methoxy-1-benzothiophen-2-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone

(5-fluoro-3-methoxy-1-benzothiophen-2-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone (PubChem CID 50846112) has the molecular formula C20H18F2N2O2S and a molecular weight of 388.44 g/mol. Its IUPAC name is (5-fluoro-3-methoxy-1-benzothiophen-2-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-fluoro-3-methoxy-1-benzothiophen-2-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
PubChem CID50846112
Molecular FormulaC20H18F2N2O2S
Molecular Weight388.44 g/mol
Exact Mass388.11
IUPAC Name(5-fluoro-3-methoxy-1-benzothiophen-2-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
SMILESCOc1c(C(=O)N2CCN(c3ccccc3F)CC2)sc2ccc(F)cc12
InChIInChI=1S/C20H18F2N2O2S/c1-26-18-14-12-13(21)6-7-17(14)27-19(18)20(25)24-10-8-23(9-11-24)16-5-3-2-4-15(16)22/h2-7,12H,8-11H2,1H3
InChIKeyTVPQMHQZPGHAHA-UHFFFAOYSA-N
XLogP4.15
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.44
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5-fluoro-3-methoxy-1-benzothiophen-2-yl)-morpholin-4-ylmethanone
CID 53014209
(4-fluoro-3-methoxy-1-benzothiophen-2-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 50845694
(3-methoxy-1-benzothiophen-2-yl)-(4-methylpiperazin-1-yl)methanone
CID 53014197
[4-(2-fluorophenyl)piperazin-1-yl]-[2-(3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methanone
CID 42537522
(4-fluoro-3-methoxy-1-benzothiophen-2-yl)-(4-phenylpiperazin-1-yl)methanone
CID 50845916
[4-(2-fluorophenyl)piperazin-1-yl]-(2,4,5-trimethoxyphenyl)methanone
CID 1089294
(2,4-dimethoxyphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 3148007
[4-(2-fluorophenyl)piperazin-1-yl]-(7-methoxy-1-benzofuran-2-yl)methanone
CID 6472790
[4-(2,4-difluorophenyl)piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone
CID 113079869
[4-(2-fluorophenyl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 808454
[4-(2-fluorophenyl)piperazin-1-yl]-(5-methoxy-3-methyl-1-benzofuran-2-yl)methanone
CID 51155040
(3-methoxy-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 91956550

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-3-methoxy-1-benzothiophen-2-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The IUPAC name of (5-fluoro-3-methoxy-1-benzothiophen-2-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone (CID 50846112) is (5-fluoro-3-methoxy-1-benzothiophen-2-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (5-fluoro-3-methoxy-1-benzothiophen-2-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for (5-fluoro-3-methoxy-1-benzothiophen-2-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone is COc1c(C(=O)N2CCN(c3ccccc3F)CC2)sc2ccc(F)cc12.
What is the InChIKey of (5-fluoro-3-methoxy-1-benzothiophen-2-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The InChIKey is TVPQMHQZPGHAHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N2O2S/c1-26-18-14-12-13(21)6-7-17(14)27-19(18)20(25)24-10-8-23(9-11-24)16-5-3-2-4-15(16)22/h2-7,12H,8-11H2,1H3.
What are the key properties of (5-fluoro-3-methoxy-1-benzothiophen-2-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
(5-fluoro-3-methoxy-1-benzothiophen-2-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone has a molecular weight of 388.44 g/mol, XLogP of 4.15, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-3-methoxy-1-benzothiophen-2-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 50846112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).