[4-(2-ethoxyphenyl)piperazin-1-yl]-(4-ethyl-5-methylthiophen-3-yl)methanone

C20H26N2O2S — CID 1247610

IUPAC[4-(2-ethoxyphenyl)piperazin-1-yl]-(4-ethyl-5-methylthiophen-3-yl)methanone
SMILESCCOc1ccccc1N1CCN(C(=O)c2csc(C)c2CC)CC1
InChIInChI=1S/C20H26N2O2S/c1-4-16-15(3)25-14-17(16)20(23)22-12-10-21(11-13-22)18-8-6-7-9-19(18)24-5-2/h6-9,14H,4-5,10-13H2,1-3H3
InChIKeyFUESKNRFVHDOPO-UHFFFAOYSA-N
MW358.51 g/mol
LogP3.98
Rot. Bonds5

About [4-(2-ethoxyphenyl)piperazin-1-yl]-(4-ethyl-5-methylthiophen-3-yl)methanone

[4-(2-ethoxyphenyl)piperazin-1-yl]-(4-ethyl-5-methylthiophen-3-yl)methanone (PubChem CID 1247610) has the molecular formula C20H26N2O2S and a molecular weight of 358.51 g/mol. Its IUPAC name is [4-(2-ethoxyphenyl)piperazin-1-yl]-(4-ethyl-5-methylthiophen-3-yl)methanone.

Molecular Properties

Compound Name[4-(2-ethoxyphenyl)piperazin-1-yl]-(4-ethyl-5-methylthiophen-3-yl)methanone
PubChem CID1247610
Molecular FormulaC20H26N2O2S
Molecular Weight358.51 g/mol
Exact Mass358.17
IUPAC Name[4-(2-ethoxyphenyl)piperazin-1-yl]-(4-ethyl-5-methylthiophen-3-yl)methanone
SMILESCCOc1ccccc1N1CCN(C(=O)c2csc(C)c2CC)CC1
InChIInChI=1S/C20H26N2O2S/c1-4-16-15(3)25-14-17(16)20(23)22-12-10-21(11-13-22)18-8-6-7-9-19(18)24-5-2/h6-9,14H,4-5,10-13H2,1-3H3
InChIKeyFUESKNRFVHDOPO-UHFFFAOYSA-N
XLogP3.98
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(2-ethoxyphenyl)piperazin-1-yl]-(4-ethyl-5-methylthiophen-3-yl)methanone?
The IUPAC name of [4-(2-ethoxyphenyl)piperazin-1-yl]-(4-ethyl-5-methylthiophen-3-yl)methanone (CID 1247610) is [4-(2-ethoxyphenyl)piperazin-1-yl]-(4-ethyl-5-methylthiophen-3-yl)methanone.
What is the SMILES notation for [4-(2-ethoxyphenyl)piperazin-1-yl]-(4-ethyl-5-methylthiophen-3-yl)methanone?
The canonical SMILES for [4-(2-ethoxyphenyl)piperazin-1-yl]-(4-ethyl-5-methylthiophen-3-yl)methanone is CCOc1ccccc1N1CCN(C(=O)c2csc(C)c2CC)CC1.
What is the InChIKey of [4-(2-ethoxyphenyl)piperazin-1-yl]-(4-ethyl-5-methylthiophen-3-yl)methanone?
The InChIKey is FUESKNRFVHDOPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2S/c1-4-16-15(3)25-14-17(16)20(23)22-12-10-21(11-13-22)18-8-6-7-9-19(18)24-5-2/h6-9,14H,4-5,10-13H2,1-3H3.
What are the key properties of [4-(2-ethoxyphenyl)piperazin-1-yl]-(4-ethyl-5-methylthiophen-3-yl)methanone?
[4-(2-ethoxyphenyl)piperazin-1-yl]-(4-ethyl-5-methylthiophen-3-yl)methanone has a molecular weight of 358.51 g/mol, XLogP of 3.98, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-ethoxyphenyl)piperazin-1-yl]-(4-ethyl-5-methylthiophen-3-yl)methanone is sourced from PubChem (CID 1247610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).