N-(3-cyanothiophen-2-yl)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]acetamide

C19H23N4O2S+ — CID 2406609

IUPACN-(3-cyanothiophen-2-yl)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]acetamide
SMILESCCOc1ccccc1N1CC[NH+](CC(=O)Nc2sccc2C#N)CC1
InChIInChI=1S/C19H22N4O2S/c1-2-25-17-6-4-3-5-16(17)23-10-8-22(9-11-23)14-18(24)21-19-15(13-20)7-12-26-19/h3-7,12H,2,8-11,14H2,1H3,(H,21,24)/p+1
InChIKeyBAINFRLTZZHAHU-UHFFFAOYSA-O
MW371.49 g/mol
LogP1.36
Rot. Bonds6

About N-(3-cyanothiophen-2-yl)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]acetamide

N-(3-cyanothiophen-2-yl)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]acetamide (PubChem CID 2406609) has the molecular formula C19H23N4O2S+ and a molecular weight of 371.49 g/mol. Its IUPAC name is N-(3-cyanothiophen-2-yl)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-cyanothiophen-2-yl)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]acetamide
PubChem CID2406609
Molecular FormulaC19H23N4O2S+
Molecular Weight371.49 g/mol
Exact Mass371.15
IUPAC NameN-(3-cyanothiophen-2-yl)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]acetamide
SMILESCCOc1ccccc1N1CC[NH+](CC(=O)Nc2sccc2C#N)CC1
InChIInChI=1S/C19H22N4O2S/c1-2-25-17-6-4-3-5-16(17)23-10-8-22(9-11-23)14-18(24)21-19-15(13-20)7-12-26-19/h3-7,12H,2,8-11,14H2,1H3,(H,21,24)/p+1
InChIKeyBAINFRLTZZHAHU-UHFFFAOYSA-O
XLogP1.36
TPSA69.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-cyanothiophen-2-yl)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]acetamide
CID 2402942
N-(3-cyanothiophen-2-yl)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide
CID 2508369
2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]acetohydrazide
CID 7060420
N-(4-ethoxyphenyl)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]acetamide
CID 8703710
N-(3-cyanothiophen-2-yl)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetamide
CID 8592614
2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 8691425
N-(1,3-benzodioxol-5-yl)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]acetamide
CID 2161884
N-(3-cyanothiophen-2-yl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)acetamide
CID 8745941
2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-N-(2-phenylsulfanylethyl)acetamide
CID 9027893
N-(2-cyclopentylpyrazol-3-yl)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]acetamide
CID 9328321
2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
CID 8703554
N-(3-cyanothiophen-2-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 17447395

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanothiophen-2-yl)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]acetamide?
The IUPAC name of N-(3-cyanothiophen-2-yl)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]acetamide (CID 2406609) is N-(3-cyanothiophen-2-yl)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]acetamide.
What is the SMILES notation for N-(3-cyanothiophen-2-yl)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]acetamide?
The canonical SMILES for N-(3-cyanothiophen-2-yl)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]acetamide is CCOc1ccccc1N1CC[NH+](CC(=O)Nc2sccc2C#N)CC1.
What is the InChIKey of N-(3-cyanothiophen-2-yl)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]acetamide?
The InChIKey is BAINFRLTZZHAHU-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H22N4O2S/c1-2-25-17-6-4-3-5-16(17)23-10-8-22(9-11-23)14-18(24)21-19-15(13-20)7-12-26-19/h3-7,12H,2,8-11,14H2,1H3,(H,21,24)/p+1.
What are the key properties of N-(3-cyanothiophen-2-yl)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]acetamide?
N-(3-cyanothiophen-2-yl)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]acetamide has a molecular weight of 371.49 g/mol, XLogP of 1.36, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanothiophen-2-yl)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]acetamide is sourced from PubChem (CID 2406609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).