furan-2-yl-[4-[(5-thiophen-3-yl-1-benzofuran-2-yl)methyl]piperazin-1-yl]methanone

C22H20N2O3S — CID 24736206

IUPACfuran-2-yl-[4-[(5-thiophen-3-yl-1-benzofuran-2-yl)methyl]piperazin-1-yl]methanone
SMILESO=C(c1ccco1)N1CCN(Cc2cc3cc(-c4ccsc4)ccc3o2)CC1
InChIInChI=1S/C22H20N2O3S/c25-22(21-2-1-10-26-21)24-8-6-23(7-9-24)14-19-13-18-12-16(3-4-20(18)27-19)17-5-11-28-15-17/h1-5,10-13,15H,6-9,14H2
InChIKeyVQSNUVRKXKGEQL-UHFFFAOYSA-N
MW392.48 g/mol
LogP4.71
Rot. Bonds4

About furan-2-yl-[4-[(5-thiophen-3-yl-1-benzofuran-2-yl)methyl]piperazin-1-yl]methanone

furan-2-yl-[4-[(5-thiophen-3-yl-1-benzofuran-2-yl)methyl]piperazin-1-yl]methanone (PubChem CID 24736206) has the molecular formula C22H20N2O3S and a molecular weight of 392.48 g/mol. Its IUPAC name is furan-2-yl-[4-[(5-thiophen-3-yl-1-benzofuran-2-yl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[4-[(5-thiophen-3-yl-1-benzofuran-2-yl)methyl]piperazin-1-yl]methanone
PubChem CID24736206
Molecular FormulaC22H20N2O3S
Molecular Weight392.48 g/mol
Exact Mass392.12
IUPAC Namefuran-2-yl-[4-[(5-thiophen-3-yl-1-benzofuran-2-yl)methyl]piperazin-1-yl]methanone
SMILESO=C(c1ccco1)N1CCN(Cc2cc3cc(-c4ccsc4)ccc3o2)CC1
InChIInChI=1S/C22H20N2O3S/c25-22(21-2-1-10-26-21)24-8-6-23(7-9-24)14-19-13-18-12-16(3-4-20(18)27-19)17-5-11-28-15-17/h1-5,10-13,15H,6-9,14H2
InChIKeyVQSNUVRKXKGEQL-UHFFFAOYSA-N
XLogP4.71
TPSA49.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze furan-2-yl-[4-[(5-thiophen-3-yl-1-benzofuran-2-yl)methyl]piperazin-1-yl]methanone with MolForge

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Related Compounds

1-[4-[(5-thiophen-3-yl-1-benzofuran-2-yl)methyl]piperazin-1-yl]ethanone
CID 24736200
cyclopropyl-[4-[(5-thiophen-3-yl-1-benzofuran-2-yl)methyl]piperazin-1-yl]methanone
CID 24736208
[4-[[5-(3-fluorophenyl)-1-benzofuran-2-yl]methyl]-1,4-diazepan-1-yl]-(furan-2-yl)methanone;hydrochloride
CID 24737275
[4-[(5-chloro-1-benzofuran-2-yl)methyl]-1,4-diazepan-1-yl]-(furan-2-yl)methanone
CID 24737161
3-[4-[(5-thiophen-3-yl-1-benzofuran-2-yl)methyl]-1,4-diazepane-1-carbonyl]benzonitrile;hydrochloride
CID 24737302
[4-(furan-2-carbonyl)piperazin-1-yl]-thiophen-3-ylmethanone
CID 60656601
1-[4-[[5-(4-methylphenyl)-1-benzofuran-2-yl]methyl]piperazin-1-yl]ethanone
CID 24736094
1-[(5-thiophen-3-yl-1-benzofuran-2-yl)methyl]-4-thiophen-2-ylsulfonyl-1,4-diazepane;hydrochloride
CID 24737319
furan-2-yl-[4-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]piperazin-1-yl]methanone
CID 37376323
furan-2-yl-[4-[(5-naphthalen-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]methanone
CID 42692042
(5-chloro-1-benzofuran-2-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
CID 9182011
1-[2-(4-fluorophenoxy)ethyl]-4-[(5-thiophen-3-yl-1-benzofuran-2-yl)methyl]-1,4-diazepane
CID 24737337

Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[4-[(5-thiophen-3-yl-1-benzofuran-2-yl)methyl]piperazin-1-yl]methanone?
The IUPAC name of furan-2-yl-[4-[(5-thiophen-3-yl-1-benzofuran-2-yl)methyl]piperazin-1-yl]methanone (CID 24736206) is furan-2-yl-[4-[(5-thiophen-3-yl-1-benzofuran-2-yl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for furan-2-yl-[4-[(5-thiophen-3-yl-1-benzofuran-2-yl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for furan-2-yl-[4-[(5-thiophen-3-yl-1-benzofuran-2-yl)methyl]piperazin-1-yl]methanone is O=C(c1ccco1)N1CCN(Cc2cc3cc(-c4ccsc4)ccc3o2)CC1.
What is the InChIKey of furan-2-yl-[4-[(5-thiophen-3-yl-1-benzofuran-2-yl)methyl]piperazin-1-yl]methanone?
The InChIKey is VQSNUVRKXKGEQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O3S/c25-22(21-2-1-10-26-21)24-8-6-23(7-9-24)14-19-13-18-12-16(3-4-20(18)27-19)17-5-11-28-15-17/h1-5,10-13,15H,6-9,14H2.
What are the key properties of furan-2-yl-[4-[(5-thiophen-3-yl-1-benzofuran-2-yl)methyl]piperazin-1-yl]methanone?
furan-2-yl-[4-[(5-thiophen-3-yl-1-benzofuran-2-yl)methyl]piperazin-1-yl]methanone has a molecular weight of 392.48 g/mol, XLogP of 4.71, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[4-[(5-thiophen-3-yl-1-benzofuran-2-yl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 24736206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).