furan-2-ylmethyl-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-(thiophen-2-ylmethyl)azanium

C23H28N3O3S+ — CID 9327834

IUPACfuran-2-ylmethyl-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-(thiophen-2-ylmethyl)azanium
SMILESCOc1ccccc1N1CCN(C(=O)C[NH+](Cc2ccco2)Cc2cccs2)CC1
InChIInChI=1S/C23H27N3O3S/c1-28-22-9-3-2-8-21(22)25-10-12-26(13-11-25)23(27)18-24(16-19-6-4-14-29-19)17-20-7-5-15-30-20/h2-9,14-15H,10-13,16-18H2,1H3/p+1
InChIKeyVJQFXPCBLJCXBH-UHFFFAOYSA-O
MW426.56 g/mol
LogP2.28
Rot. Bonds8

About furan-2-ylmethyl-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-(thiophen-2-ylmethyl)azanium

furan-2-ylmethyl-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-(thiophen-2-ylmethyl)azanium (PubChem CID 9327834) has the molecular formula C23H28N3O3S+ and a molecular weight of 426.56 g/mol. Its IUPAC name is furan-2-ylmethyl-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-(thiophen-2-ylmethyl)azanium.

Molecular Properties

Compound Namefuran-2-ylmethyl-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-(thiophen-2-ylmethyl)azanium
PubChem CID9327834
Molecular FormulaC23H28N3O3S+
Molecular Weight426.56 g/mol
Exact Mass426.18
IUPAC Namefuran-2-ylmethyl-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-(thiophen-2-ylmethyl)azanium
SMILESCOc1ccccc1N1CCN(C(=O)C[NH+](Cc2ccco2)Cc2cccs2)CC1
InChIInChI=1S/C23H27N3O3S/c1-28-22-9-3-2-8-21(22)25-10-12-26(13-11-25)23(27)18-24(16-19-6-4-14-29-19)17-20-7-5-15-30-20/h2-9,14-15H,10-13,16-18H2,1H3/p+1
InChIKeyVJQFXPCBLJCXBH-UHFFFAOYSA-O
XLogP2.28
TPSA50.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.56
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze furan-2-ylmethyl-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-(thiophen-2-ylmethyl)azanium with MolForge

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Related Compounds

2-(furan-2-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 110690646
N-(furan-2-ylmethyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 113161025
N-(furan-2-ylmethyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-4-oxobutanamide
CID 3980124
[2-(3,4-dimethoxyanilino)-2-oxoethyl]-(furan-2-ylmethyl)-(thiophen-2-ylmethyl)azanium
CID 8677873
2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 17428471
1-(2-methoxyphenyl)-4-(thiophen-2-ylmethyl)piperazine
CID 763703
1-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]-2-thiophen-2-ylethanone
CID 113077635
2-isocyano-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 12017077
1-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-(furan-2-yl)propan-1-one
CID 78781102
1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108941985
2-(2-aminophenoxy)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 129452501
2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 4796208

Frequently Asked Questions

What is the IUPAC name of furan-2-ylmethyl-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-(thiophen-2-ylmethyl)azanium?
The IUPAC name of furan-2-ylmethyl-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-(thiophen-2-ylmethyl)azanium (CID 9327834) is furan-2-ylmethyl-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-(thiophen-2-ylmethyl)azanium.
What is the SMILES notation for furan-2-ylmethyl-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-(thiophen-2-ylmethyl)azanium?
The canonical SMILES for furan-2-ylmethyl-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-(thiophen-2-ylmethyl)azanium is COc1ccccc1N1CCN(C(=O)C[NH+](Cc2ccco2)Cc2cccs2)CC1.
What is the InChIKey of furan-2-ylmethyl-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-(thiophen-2-ylmethyl)azanium?
The InChIKey is VJQFXPCBLJCXBH-UHFFFAOYSA-O. The full InChI is InChI=1S/C23H27N3O3S/c1-28-22-9-3-2-8-21(22)25-10-12-26(13-11-25)23(27)18-24(16-19-6-4-14-29-19)17-20-7-5-15-30-20/h2-9,14-15H,10-13,16-18H2,1H3/p+1.
What are the key properties of furan-2-ylmethyl-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-(thiophen-2-ylmethyl)azanium?
furan-2-ylmethyl-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-(thiophen-2-ylmethyl)azanium has a molecular weight of 426.56 g/mol, XLogP of 2.28, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-ylmethyl-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-(thiophen-2-ylmethyl)azanium is sourced from PubChem (CID 9327834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).