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

C17H19N3O2S — CID 112981698

IUPACN-[4-(4-formylpiperazin-1-yl)phenyl]-2-thiophen-2-ylacetamide
SMILESO=CN1CCN(c2ccc(NC(=O)Cc3cccs3)cc2)CC1
InChIInChI=1S/C17H19N3O2S/c21-13-19-7-9-20(10-8-19)15-5-3-14(4-6-15)18-17(22)12-16-2-1-11-23-16/h1-6,11,13H,7-10,12H2,(H,18,22)
InChIKeyVYUOUDNHCPJMPO-UHFFFAOYSA-N
MW329.43 g/mol
LogP2.21
Rot. Bonds5

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

N-[4-(4-formylpiperazin-1-yl)phenyl]-2-thiophen-2-ylacetamide (PubChem CID 112981698) has the molecular formula C17H19N3O2S and a molecular weight of 329.43 g/mol. Its IUPAC name is N-[4-(4-formylpiperazin-1-yl)phenyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[4-(4-formylpiperazin-1-yl)phenyl]-2-thiophen-2-ylacetamide
PubChem CID112981698
Molecular FormulaC17H19N3O2S
Molecular Weight329.43 g/mol
Exact Mass329.12
IUPAC NameN-[4-(4-formylpiperazin-1-yl)phenyl]-2-thiophen-2-ylacetamide
SMILESO=CN1CCN(c2ccc(NC(=O)Cc3cccs3)cc2)CC1
InChIInChI=1S/C17H19N3O2S/c21-13-19-7-9-20(10-8-19)15-5-3-14(4-6-15)18-17(22)12-16-2-1-11-23-16/h1-6,11,13H,7-10,12H2,(H,18,22)
InChIKeyVYUOUDNHCPJMPO-UHFFFAOYSA-N
XLogP2.21
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', '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-ethylpiperazin-1-yl)phenyl]-2-thiophen-2-ylacetamide
CID 39911925
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-cyclohexylpiperazin-1-yl)phenyl]-2-thiophen-2-ylacetamide
CID 112502781
2-[methyl(thiophen-2-ylmethyl)amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 8592090
2-(4-formylpiperazin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 108995838
2-thiophen-2-yl-N-[4-[[4-[(2-thiophen-2-ylacetyl)amino]phenyl]disulfanyl]phenyl]acetamide
CID 3108904
N-(4-piperidin-1-ylsulfonylphenyl)-2-thiophen-2-ylacetamide
CID 1305863
N-[4-(prop-2-enylcarbamoylamino)phenyl]-2-thiophen-2-ylacetamide
CID 38019423
N-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-2-thiophen-2-ylacetamide
CID 113011235
N-[4-(2-chloroanilino)phenyl]-2-thiophen-2-ylacetamide
CID 112986929

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-formylpiperazin-1-yl)phenyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[4-(4-formylpiperazin-1-yl)phenyl]-2-thiophen-2-ylacetamide (CID 112981698) is N-[4-(4-formylpiperazin-1-yl)phenyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[4-(4-formylpiperazin-1-yl)phenyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[4-(4-formylpiperazin-1-yl)phenyl]-2-thiophen-2-ylacetamide is O=CN1CCN(c2ccc(NC(=O)Cc3cccs3)cc2)CC1.
What is the InChIKey of N-[4-(4-formylpiperazin-1-yl)phenyl]-2-thiophen-2-ylacetamide?
The InChIKey is VYUOUDNHCPJMPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S/c21-13-19-7-9-20(10-8-19)15-5-3-14(4-6-15)18-17(22)12-16-2-1-11-23-16/h1-6,11,13H,7-10,12H2,(H,18,22).
What are the key properties of N-[4-(4-formylpiperazin-1-yl)phenyl]-2-thiophen-2-ylacetamide?
N-[4-(4-formylpiperazin-1-yl)phenyl]-2-thiophen-2-ylacetamide has a molecular weight of 329.43 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-formylpiperazin-1-yl)phenyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 112981698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).