N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-thiophen-2-ylacetamide

C18H23N3OS — CID 39911925

IUPACN-[4-(4-ethylpiperazin-1-yl)phenyl]-2-thiophen-2-ylacetamide
SMILESCCN1CCN(c2ccc(NC(=O)Cc3cccs3)cc2)CC1
InChIInChI=1S/C18H23N3OS/c1-2-20-9-11-21(12-10-20)16-7-5-15(6-8-16)19-18(22)14-17-4-3-13-23-17/h3-8,13H,2,9-12,14H2,1H3,(H,19,22)
InChIKeyBURUAPXGXALPNT-UHFFFAOYSA-N
MW329.47 g/mol
LogP3.07
Rot. Bonds5

About N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-thiophen-2-ylacetamide

N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-thiophen-2-ylacetamide (PubChem CID 39911925) has the molecular formula C18H23N3OS and a molecular weight of 329.47 g/mol. Its IUPAC name is N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[4-(4-ethylpiperazin-1-yl)phenyl]-2-thiophen-2-ylacetamide
PubChem CID39911925
Molecular FormulaC18H23N3OS
Molecular Weight329.47 g/mol
Exact Mass329.16
IUPAC NameN-[4-(4-ethylpiperazin-1-yl)phenyl]-2-thiophen-2-ylacetamide
SMILESCCN1CCN(c2ccc(NC(=O)Cc3cccs3)cc2)CC1
InChIInChI=1S/C18H23N3OS/c1-2-20-9-11-21(12-10-20)16-7-5-15(6-8-16)19-18(22)14-17-4-3-13-23-17/h3-8,13H,2,9-12,14H2,1H3,(H,19,22)
InChIKeyBURUAPXGXALPNT-UHFFFAOYSA-N
XLogP3.07
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(4-methylpiperazin-1-yl)phenyl]-2-thiophen-2-ylacetamide
CID 7744758
N-[4-(4-formylpiperazin-1-yl)phenyl]-2-thiophen-2-ylacetamide
CID 112981698
N-[4-(4-methylpiperidin-1-yl)phenyl]-2-thiophen-2-ylacetamide
CID 9302925
N-[4-[4-(3-methylphenyl)piperazin-1-yl]phenyl]-2-thiophen-2-ylacetamide
CID 112984453
N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-phenylacetamide
CID 969221
N-[4-(4-ethylpiperazin-1-yl)phenyl]thiophene-2-carboxamide
CID 7341667
N-[4-(4-cyclohexylpiperazin-1-yl)phenyl]-2-thiophen-2-ylacetamide
CID 112502781
N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide
CID 24680238
N-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-thiophen-2-ylacetamide
CID 17451721
2-[methyl(thiophen-2-ylmethyl)amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 8592090
N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
CID 46453077
N-[4-(4-ethylpiperazin-1-yl)phenyl]-3-(2-fluorophenyl)propanamide
CID 17400855

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-thiophen-2-ylacetamide (CID 39911925) is N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-thiophen-2-ylacetamide is CCN1CCN(c2ccc(NC(=O)Cc3cccs3)cc2)CC1.
What is the InChIKey of N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-thiophen-2-ylacetamide?
The InChIKey is BURUAPXGXALPNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3OS/c1-2-20-9-11-21(12-10-20)16-7-5-15(6-8-16)19-18(22)14-17-4-3-13-23-17/h3-8,13H,2,9-12,14H2,1H3,(H,19,22).
What are the key properties of N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-thiophen-2-ylacetamide?
N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-thiophen-2-ylacetamide has a molecular weight of 329.47 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 39911925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).