N-[2-(4-ethylpiperazin-1-yl)sulfonylethyl]-2-thiophen-2-ylacetamide;hydrochloride

C14H24ClN3O3S2 — CID 16881362

IUPACN-[2-(4-ethylpiperazin-1-yl)sulfonylethyl]-2-thiophen-2-ylacetamide;hydrochloride
SMILESCCN1CCN(S(=O)(=O)CCNC(=O)Cc2cccs2)CC1.Cl
InChIInChI=1S/C14H23N3O3S2.ClH/c1-2-16-6-8-17(9-7-16)22(19,20)11-5-15-14(18)12-13-4-3-10-21-13;/h3-4,10H,2,5-9,11-12H2,1H3,(H,15,18);1H
InChIKeyXTJILNNQLNUHKN-UHFFFAOYSA-N
MW381.95 g/mol
LogP0.80
Rot. Bonds7

About N-[2-(4-ethylpiperazin-1-yl)sulfonylethyl]-2-thiophen-2-ylacetamide;hydrochloride

N-[2-(4-ethylpiperazin-1-yl)sulfonylethyl]-2-thiophen-2-ylacetamide;hydrochloride (PubChem CID 16881362) has the molecular formula C14H24ClN3O3S2 and a molecular weight of 381.95 g/mol. Its IUPAC name is N-[2-(4-ethylpiperazin-1-yl)sulfonylethyl]-2-thiophen-2-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(4-ethylpiperazin-1-yl)sulfonylethyl]-2-thiophen-2-ylacetamide;hydrochloride
PubChem CID16881362
Molecular FormulaC14H24ClN3O3S2
Molecular Weight381.95 g/mol
Exact Mass381.09
IUPAC NameN-[2-(4-ethylpiperazin-1-yl)sulfonylethyl]-2-thiophen-2-ylacetamide;hydrochloride
SMILESCCN1CCN(S(=O)(=O)CCNC(=O)Cc2cccs2)CC1.Cl
InChIInChI=1S/C14H23N3O3S2.ClH/c1-2-16-6-8-17(9-7-16)22(19,20)11-5-15-14(18)12-13-4-3-10-21-13;/h3-4,10H,2,5-9,11-12H2,1H3,(H,15,18);1H
InChIKeyXTJILNNQLNUHKN-UHFFFAOYSA-N
XLogP0.80
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.95
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]-2-thiophen-2-ylacetamide
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N-[2-(4-methylpiperazin-1-yl)sulfonylethyl]-2-phenylacetamide
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N-[2-(4-ethylpiperazin-1-yl)sulfonylethyl]-3-fluorobenzamide
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N-[1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-2-thiophen-2-ylacetamide
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CID 110790622
2-(4-ethylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)propanamide
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2-methyl-1-(2-thiomorpholin-4-ylsulfonylethyl)-3-(thiophen-2-ylmethyl)guanidine
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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethylpiperazin-1-yl)sulfonylethyl]-2-thiophen-2-ylacetamide;hydrochloride?
The IUPAC name of N-[2-(4-ethylpiperazin-1-yl)sulfonylethyl]-2-thiophen-2-ylacetamide;hydrochloride (CID 16881362) is N-[2-(4-ethylpiperazin-1-yl)sulfonylethyl]-2-thiophen-2-ylacetamide;hydrochloride.
What is the SMILES notation for N-[2-(4-ethylpiperazin-1-yl)sulfonylethyl]-2-thiophen-2-ylacetamide;hydrochloride?
The canonical SMILES for N-[2-(4-ethylpiperazin-1-yl)sulfonylethyl]-2-thiophen-2-ylacetamide;hydrochloride is CCN1CCN(S(=O)(=O)CCNC(=O)Cc2cccs2)CC1.Cl.
What is the InChIKey of N-[2-(4-ethylpiperazin-1-yl)sulfonylethyl]-2-thiophen-2-ylacetamide;hydrochloride?
The InChIKey is XTJILNNQLNUHKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S2.ClH/c1-2-16-6-8-17(9-7-16)22(19,20)11-5-15-14(18)12-13-4-3-10-21-13;/h3-4,10H,2,5-9,11-12H2,1H3,(H,15,18);1H.
What are the key properties of N-[2-(4-ethylpiperazin-1-yl)sulfonylethyl]-2-thiophen-2-ylacetamide;hydrochloride?
N-[2-(4-ethylpiperazin-1-yl)sulfonylethyl]-2-thiophen-2-ylacetamide;hydrochloride has a molecular weight of 381.95 g/mol, XLogP of 0.80, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethylpiperazin-1-yl)sulfonylethyl]-2-thiophen-2-ylacetamide;hydrochloride is sourced from PubChem (CID 16881362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).