[4-(thiophen-2-ylmethyl)piperazin-1-yl]-[4-[(2,4,6-trimethylphenoxy)methyl]thiophen-2-yl]methanone

C24H28N2O2S2 — CID 19501310

IUPAC[4-(thiophen-2-ylmethyl)piperazin-1-yl]-[4-[(2,4,6-trimethylphenoxy)methyl]thiophen-2-yl]methanone
SMILESCc1cc(C)c(OCc2csc(C(=O)N3CCN(Cc4cccs4)CC3)c2)c(C)c1
InChIInChI=1S/C24H28N2O2S2/c1-17-11-18(2)23(19(3)12-17)28-15-20-13-22(30-16-20)24(27)26-8-6-25(7-9-26)14-21-5-4-10-29-21/h4-5,10-13,16H,6-9,14-15H2,1-3H3
InChIKeyJKWHMOKWCMMQSR-UHFFFAOYSA-N
MW440.63 g/mol
LogP5.27
Rot. Bonds6

About [4-(thiophen-2-ylmethyl)piperazin-1-yl]-[4-[(2,4,6-trimethylphenoxy)methyl]thiophen-2-yl]methanone

[4-(thiophen-2-ylmethyl)piperazin-1-yl]-[4-[(2,4,6-trimethylphenoxy)methyl]thiophen-2-yl]methanone (PubChem CID 19501310) has the molecular formula C24H28N2O2S2 and a molecular weight of 440.63 g/mol. Its IUPAC name is [4-(thiophen-2-ylmethyl)piperazin-1-yl]-[4-[(2,4,6-trimethylphenoxy)methyl]thiophen-2-yl]methanone.

Molecular Properties

Compound Name[4-(thiophen-2-ylmethyl)piperazin-1-yl]-[4-[(2,4,6-trimethylphenoxy)methyl]thiophen-2-yl]methanone
PubChem CID19501310
Molecular FormulaC24H28N2O2S2
Molecular Weight440.63 g/mol
Exact Mass440.16
IUPAC Name[4-(thiophen-2-ylmethyl)piperazin-1-yl]-[4-[(2,4,6-trimethylphenoxy)methyl]thiophen-2-yl]methanone
SMILESCc1cc(C)c(OCc2csc(C(=O)N3CCN(Cc4cccs4)CC3)c2)c(C)c1
InChIInChI=1S/C24H28N2O2S2/c1-17-11-18(2)23(19(3)12-17)28-15-20-13-22(30-16-20)24(27)26-8-6-25(7-9-26)14-21-5-4-10-29-21/h4-5,10-13,16H,6-9,14-15H2,1-3H3
InChIKeyJKWHMOKWCMMQSR-UHFFFAOYSA-N
XLogP5.27
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.63
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-(thiophen-2-ylmethyl)piperazin-1-yl]-[4-[(2,4,6-trimethylphenoxy)methyl]thiophen-2-yl]methanone with MolForge

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Related Compounds

[4-[(2,3-dimethylphenoxy)methyl]thiophen-2-yl]-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
CID 19495395
[4-[(4-ethylphenoxy)methyl]thiophen-2-yl]-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
CID 19471536
[4-[(2-chlorophenoxy)methyl]thiophen-2-yl]-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
CID 19503215
[4-[(2,6-dimethylphenoxy)methyl]thiophen-2-yl]-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 19488654
[4-[(3-methylphenyl)methyl]piperazin-1-yl]-[4-[(2,3,5-trimethylphenoxy)methyl]thiophen-2-yl]methanone
CID 19489113
azepan-1-yl-[4-[(2,6-dimethylphenoxy)methyl]thiophen-2-yl]methanone
CID 19486924
[4-[(2,6-dimethylphenoxy)methyl]thiophen-2-yl]-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 19488703
[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-[4-[(2,3,5-trimethylphenoxy)methyl]thiophen-2-yl]methanone
CID 19489110
(4-benzylpiperazin-1-yl)-[4-[(3,4-dimethylphenoxy)methyl]thiophen-2-yl]methanone
CID 19471815
(4-benzylpiperazin-1-yl)-[4-[(3-methylphenoxy)methyl]thiophen-2-yl]methanone
CID 19491068
[4-[(3-bromophenyl)methyl]piperazin-1-yl]-[4-[(3,5-dimethylphenoxy)methyl]thiophen-2-yl]methanone
CID 19505569
[4-[(2,3-dimethylphenoxy)methyl]thiophen-2-yl]-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone
CID 19495330

Frequently Asked Questions

What is the IUPAC name of [4-(thiophen-2-ylmethyl)piperazin-1-yl]-[4-[(2,4,6-trimethylphenoxy)methyl]thiophen-2-yl]methanone?
The IUPAC name of [4-(thiophen-2-ylmethyl)piperazin-1-yl]-[4-[(2,4,6-trimethylphenoxy)methyl]thiophen-2-yl]methanone (CID 19501310) is [4-(thiophen-2-ylmethyl)piperazin-1-yl]-[4-[(2,4,6-trimethylphenoxy)methyl]thiophen-2-yl]methanone.
What is the SMILES notation for [4-(thiophen-2-ylmethyl)piperazin-1-yl]-[4-[(2,4,6-trimethylphenoxy)methyl]thiophen-2-yl]methanone?
The canonical SMILES for [4-(thiophen-2-ylmethyl)piperazin-1-yl]-[4-[(2,4,6-trimethylphenoxy)methyl]thiophen-2-yl]methanone is Cc1cc(C)c(OCc2csc(C(=O)N3CCN(Cc4cccs4)CC3)c2)c(C)c1.
What is the InChIKey of [4-(thiophen-2-ylmethyl)piperazin-1-yl]-[4-[(2,4,6-trimethylphenoxy)methyl]thiophen-2-yl]methanone?
The InChIKey is JKWHMOKWCMMQSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O2S2/c1-17-11-18(2)23(19(3)12-17)28-15-20-13-22(30-16-20)24(27)26-8-6-25(7-9-26)14-21-5-4-10-29-21/h4-5,10-13,16H,6-9,14-15H2,1-3H3.
What are the key properties of [4-(thiophen-2-ylmethyl)piperazin-1-yl]-[4-[(2,4,6-trimethylphenoxy)methyl]thiophen-2-yl]methanone?
[4-(thiophen-2-ylmethyl)piperazin-1-yl]-[4-[(2,4,6-trimethylphenoxy)methyl]thiophen-2-yl]methanone has a molecular weight of 440.63 g/mol, XLogP of 5.27, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(thiophen-2-ylmethyl)piperazin-1-yl]-[4-[(2,4,6-trimethylphenoxy)methyl]thiophen-2-yl]methanone is sourced from PubChem (CID 19501310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).