[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl] 4-ethyl-5-propylthiophene-2-carboxylate

C17H26N2O5S2 — CID 55453153

IUPAC[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl] 4-ethyl-5-propylthiophene-2-carboxylate
SMILESCCCc1sc(C(=O)OCC(=O)N2CCN(S(C)(=O)=O)CC2)cc1CC
InChIInChI=1S/C17H26N2O5S2/c1-4-6-14-13(5-2)11-15(25-14)17(21)24-12-16(20)18-7-9-19(10-8-18)26(3,22)23/h11H,4-10,12H2,1-3H3
InChIKeyZHBGHYCZDHSOFO-UHFFFAOYSA-N
MW402.54 g/mol
LogP1.52
Rot. Bonds7

About [2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl] 4-ethyl-5-propylthiophene-2-carboxylate

[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl] 4-ethyl-5-propylthiophene-2-carboxylate (PubChem CID 55453153) has the molecular formula C17H26N2O5S2 and a molecular weight of 402.54 g/mol. Its IUPAC name is [2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl] 4-ethyl-5-propylthiophene-2-carboxylate.

Molecular Properties

Compound Name[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl] 4-ethyl-5-propylthiophene-2-carboxylate
PubChem CID55453153
Molecular FormulaC17H26N2O5S2
Molecular Weight402.54 g/mol
Exact Mass402.13
IUPAC Name[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl] 4-ethyl-5-propylthiophene-2-carboxylate
SMILESCCCc1sc(C(=O)OCC(=O)N2CCN(S(C)(=O)=O)CC2)cc1CC
InChIInChI=1S/C17H26N2O5S2/c1-4-6-14-13(5-2)11-15(25-14)17(21)24-12-16(20)18-7-9-19(10-8-18)26(3,22)23/h11H,4-10,12H2,1-3H3
InChIKeyZHBGHYCZDHSOFO-UHFFFAOYSA-N
XLogP1.52
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2-anilino-2-oxoethyl) 4-ethyl-5-propylthiophene-2-carboxylate
CID 7651356
(4-ethyl-5-propylthiophen-2-yl)-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone
CID 26260997
[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 4-ethyl-5-propylthiophene-2-carboxylate
CID 7651386
[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl] 4-phenylbenzoate
CID 27912347
[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl] 5-bromo-2-fluorobenzoate
CID 36791037
[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl] 2-(methylamino)benzoate
CID 55454235
[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 4-ethyl-5-propylthiophene-2-carboxylate
CID 16512853
[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl] 4-(5-chlorothiophen-2-yl)-4-oxobutanoate
CID 55454085
[2-[4-[2-(5-methylthiophene-2-carbonyl)oxyacetyl]piperazin-1-yl]-2-oxoethyl] 5-methylthiophene-2-carboxylate
CID 2502753
[2-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl] 4-ethyl-5-methylthiophene-2-carboxylate
CID 17471435
2-(4-ethoxyphenoxy)-1-(4-methylsulfonylpiperazin-1-yl)ethanone
CID 31688394
[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl] 2-(3-fluorophenyl)acetate
CID 35434056

Frequently Asked Questions

What is the IUPAC name of [2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl] 4-ethyl-5-propylthiophene-2-carboxylate?
The IUPAC name of [2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl] 4-ethyl-5-propylthiophene-2-carboxylate (CID 55453153) is [2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl] 4-ethyl-5-propylthiophene-2-carboxylate.
What is the SMILES notation for [2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl] 4-ethyl-5-propylthiophene-2-carboxylate?
The canonical SMILES for [2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl] 4-ethyl-5-propylthiophene-2-carboxylate is CCCc1sc(C(=O)OCC(=O)N2CCN(S(C)(=O)=O)CC2)cc1CC.
What is the InChIKey of [2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl] 4-ethyl-5-propylthiophene-2-carboxylate?
The InChIKey is ZHBGHYCZDHSOFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O5S2/c1-4-6-14-13(5-2)11-15(25-14)17(21)24-12-16(20)18-7-9-19(10-8-18)26(3,22)23/h11H,4-10,12H2,1-3H3.
What are the key properties of [2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl] 4-ethyl-5-propylthiophene-2-carboxylate?
[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl] 4-ethyl-5-propylthiophene-2-carboxylate has a molecular weight of 402.54 g/mol, XLogP of 1.52, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl] 4-ethyl-5-propylthiophene-2-carboxylate is sourced from PubChem (CID 55453153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).