N-(2-ethylphenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]acetamide

C19H25N3OS — CID 17499670

IUPACN-(2-ethylphenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]acetamide
SMILESCCc1ccccc1NC(=O)CN1CCN(Cc2ccsc2)CC1
InChIInChI=1S/C19H25N3OS/c1-2-17-5-3-4-6-18(17)20-19(23)14-22-10-8-21(9-11-22)13-16-7-12-24-15-16/h3-7,12,15H,2,8-11,13-14H2,1H3,(H,20,23)
InChIKeyGWRAVSCINMYDGK-UHFFFAOYSA-N
MW343.50 g/mol
LogP3.07
Rot. Bonds6

About N-(2-ethylphenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]acetamide

N-(2-ethylphenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]acetamide (PubChem CID 17499670) has the molecular formula C19H25N3OS and a molecular weight of 343.50 g/mol. Its IUPAC name is N-(2-ethylphenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]acetamide
PubChem CID17499670
Molecular FormulaC19H25N3OS
Molecular Weight343.50 g/mol
Exact Mass343.17
IUPAC NameN-(2-ethylphenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]acetamide
SMILESCCc1ccccc1NC(=O)CN1CCN(Cc2ccsc2)CC1
InChIInChI=1S/C19H25N3OS/c1-2-17-5-3-4-6-18(17)20-19(23)14-22-10-8-21(9-11-22)13-16-7-12-24-15-16/h3-7,12,15H,2,8-11,13-14H2,1H3,(H,20,23)
InChIKeyGWRAVSCINMYDGK-UHFFFAOYSA-N
XLogP3.07
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.50
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2-ethylphenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-ethylphenyl)-2-thiophen-3-ylacetamide
CID 7750935
N-(2-phenoxyphenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]acetamide
CID 9451718
N-(2-ethylphenyl)-2-[4-[(4-hydroxy-3,5-dimethylphenyl)methyl]piperazin-1-yl]acetamide
CID 29106292
2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 8773116
2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-methylphenyl)acetamide
CID 9436502
2-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 30969143
N-(2-ethylphenyl)-2-[4-[2-(2-methoxyanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 9436558
N-(2-ethylphenyl)-2-[4-[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide
CID 24678044
2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-phenylethyl)acetamide
CID 9436562
N-(3-chlorophenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]acetamide
CID 17491999
N-(3-fluorophenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]acetamide
CID 17451461
N-(2-ethylphenyl)-2-[4-[2-oxo-2-[[(1R)-1-(4-phenylphenyl)ethyl]amino]ethyl]piperazin-1-yl]acetamide
CID 51624224

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(2-ethylphenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]acetamide (CID 17499670) is N-(2-ethylphenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2-ethylphenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(2-ethylphenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]acetamide is CCc1ccccc1NC(=O)CN1CCN(Cc2ccsc2)CC1.
What is the InChIKey of N-(2-ethylphenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]acetamide?
The InChIKey is GWRAVSCINMYDGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3OS/c1-2-17-5-3-4-6-18(17)20-19(23)14-22-10-8-21(9-11-22)13-16-7-12-24-15-16/h3-7,12,15H,2,8-11,13-14H2,1H3,(H,20,23).
What are the key properties of N-(2-ethylphenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]acetamide?
N-(2-ethylphenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]acetamide has a molecular weight of 343.50 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 17499670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).