N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-thiophen-3-ylacetamide

C18H23N3OS — CID 8834516

IUPACN-[4-(4-ethylpiperazin-1-yl)phenyl]-2-thiophen-3-ylacetamide
SMILESCCN1CCN(c2ccc(NC(=O)Cc3ccsc3)cc2)CC1
InChIInChI=1S/C18H23N3OS/c1-2-20-8-10-21(11-9-20)17-5-3-16(4-6-17)19-18(22)13-15-7-12-23-14-15/h3-7,12,14H,2,8-11,13H2,1H3,(H,19,22)
InChIKeyNLWJOSCNPPNYFL-UHFFFAOYSA-N
MW329.47 g/mol
LogP3.07
Rot. Bonds5

About N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-thiophen-3-ylacetamide

N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-thiophen-3-ylacetamide (PubChem CID 8834516) 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-3-ylacetamide.

Molecular Properties

Compound NameN-[4-(4-ethylpiperazin-1-yl)phenyl]-2-thiophen-3-ylacetamide
PubChem CID8834516
Molecular FormulaC18H23N3OS
Molecular Weight329.47 g/mol
Exact Mass329.16
IUPAC NameN-[4-(4-ethylpiperazin-1-yl)phenyl]-2-thiophen-3-ylacetamide
SMILESCCN1CCN(c2ccc(NC(=O)Cc3ccsc3)cc2)CC1
InChIInChI=1S/C18H23N3OS/c1-2-20-8-10-21(11-9-20)17-5-3-16(4-6-17)19-18(22)13-15-7-12-23-14-15/h3-7,12,14H,2,8-11,13H2,1H3,(H,19,22)
InChIKeyNLWJOSCNPPNYFL-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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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-thiophen-3-ylacetamide?
The IUPAC name of N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-thiophen-3-ylacetamide (CID 8834516) is N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-thiophen-3-ylacetamide.
What is the SMILES notation for N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-thiophen-3-ylacetamide?
The canonical SMILES for N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-thiophen-3-ylacetamide is CCN1CCN(c2ccc(NC(=O)Cc3ccsc3)cc2)CC1.
What is the InChIKey of N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-thiophen-3-ylacetamide?
The InChIKey is NLWJOSCNPPNYFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3OS/c1-2-20-8-10-21(11-9-20)17-5-3-16(4-6-17)19-18(22)13-15-7-12-23-14-15/h3-7,12,14H,2,8-11,13H2,1H3,(H,19,22).
What are the key properties of N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-thiophen-3-ylacetamide?
N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-thiophen-3-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-3-ylacetamide is sourced from PubChem (CID 8834516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).