4-acetyl-N-(2-amino-5-thiophen-2-ylphenyl)piperazine-1-carboxamide

C17H20N4O2S — CID 71465921

IUPAC4-acetyl-N-(2-amino-5-thiophen-2-ylphenyl)piperazine-1-carboxamide
SMILESCC(=O)N1CCN(C(=O)Nc2cc(-c3cccs3)ccc2N)CC1
InChIInChI=1S/C17H20N4O2S/c1-12(22)20-6-8-21(9-7-20)17(23)19-15-11-13(4-5-14(15)18)16-3-2-10-24-16/h2-5,10-11H,6-9,18H2,1H3,(H,19,23)
InChIKeyAZBBZOJDIIHQHI-UHFFFAOYSA-N
MW344.44 g/mol
LogP2.69
Rot. Bonds2

About 4-acetyl-N-(2-amino-5-thiophen-2-ylphenyl)piperazine-1-carboxamide

4-acetyl-N-(2-amino-5-thiophen-2-ylphenyl)piperazine-1-carboxamide (PubChem CID 71465921) has the molecular formula C17H20N4O2S and a molecular weight of 344.44 g/mol. Its IUPAC name is 4-acetyl-N-(2-amino-5-thiophen-2-ylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-(2-amino-5-thiophen-2-ylphenyl)piperazine-1-carboxamide
PubChem CID71465921
Molecular FormulaC17H20N4O2S
Molecular Weight344.44 g/mol
Exact Mass344.13
IUPAC Name4-acetyl-N-(2-amino-5-thiophen-2-ylphenyl)piperazine-1-carboxamide
SMILESCC(=O)N1CCN(C(=O)Nc2cc(-c3cccs3)ccc2N)CC1
InChIInChI=1S/C17H20N4O2S/c1-12(22)20-6-8-21(9-7-20)17(23)19-15-11-13(4-5-14(15)18)16-3-2-10-24-16/h2-5,10-11H,6-9,18H2,1H3,(H,19,23)
InChIKeyAZBBZOJDIIHQHI-UHFFFAOYSA-N
XLogP2.69
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-(2-amino-5-thiophen-2-ylphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-acetyl-N-(2-amino-5-thiophen-2-ylphenyl)piperazine-1-carboxamide (CID 71465921) is 4-acetyl-N-(2-amino-5-thiophen-2-ylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-acetyl-N-(2-amino-5-thiophen-2-ylphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-acetyl-N-(2-amino-5-thiophen-2-ylphenyl)piperazine-1-carboxamide is CC(=O)N1CCN(C(=O)Nc2cc(-c3cccs3)ccc2N)CC1.
What is the InChIKey of 4-acetyl-N-(2-amino-5-thiophen-2-ylphenyl)piperazine-1-carboxamide?
The InChIKey is AZBBZOJDIIHQHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2S/c1-12(22)20-6-8-21(9-7-20)17(23)19-15-11-13(4-5-14(15)18)16-3-2-10-24-16/h2-5,10-11H,6-9,18H2,1H3,(H,19,23).
What are the key properties of 4-acetyl-N-(2-amino-5-thiophen-2-ylphenyl)piperazine-1-carboxamide?
4-acetyl-N-(2-amino-5-thiophen-2-ylphenyl)piperazine-1-carboxamide has a molecular weight of 344.44 g/mol, XLogP of 2.69, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-(2-amino-5-thiophen-2-ylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 71465921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).