2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-[(E)-thiophen-2-ylmethylideneamino]acetamide

C18H21ClN4OS — CID 6887638

IUPAC2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-[(E)-thiophen-2-ylmethylideneamino]acetamide
SMILESO=C(CN1CCN(Cc2ccc(Cl)cc2)CC1)N/N=C/c1cccs1
InChIInChI=1S/C18H21ClN4OS/c19-16-5-3-15(4-6-16)13-22-7-9-23(10-8-22)14-18(24)21-20-12-17-2-1-11-25-17/h1-6,11-12H,7-10,13-14H2,(H,21,24)/b20-12+
InChIKeyBKIPBAVVQAIHHA-UDWIEESQSA-N
MW376.91 g/mol
LogP2.67
Rot. Bonds6

About 2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-[(E)-thiophen-2-ylmethylideneamino]acetamide

2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-[(E)-thiophen-2-ylmethylideneamino]acetamide (PubChem CID 6887638) has the molecular formula C18H21ClN4OS and a molecular weight of 376.91 g/mol. Its IUPAC name is 2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-[(E)-thiophen-2-ylmethylideneamino]acetamide.

Molecular Properties

Compound Name2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-[(E)-thiophen-2-ylmethylideneamino]acetamide
PubChem CID6887638
Molecular FormulaC18H21ClN4OS
Molecular Weight376.91 g/mol
Exact Mass376.11
IUPAC Name2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-[(E)-thiophen-2-ylmethylideneamino]acetamide
SMILESO=C(CN1CCN(Cc2ccc(Cl)cc2)CC1)N/N=C/c1cccs1
InChIInChI=1S/C18H21ClN4OS/c19-16-5-3-15(4-6-16)13-22-7-9-23(10-8-22)14-18(24)21-20-12-17-2-1-11-25-17/h1-6,11-12H,7-10,13-14H2,(H,21,24)/b20-12+
InChIKeyBKIPBAVVQAIHHA-UDWIEESQSA-N
XLogP2.67
TPSA47.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.91
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-[(E)-thiophen-2-ylmethylideneamino]acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-[(E)-thiophen-2-ylmethylideneamino]acetamide?
The IUPAC name of 2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-[(E)-thiophen-2-ylmethylideneamino]acetamide (CID 6887638) is 2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-[(E)-thiophen-2-ylmethylideneamino]acetamide.
What is the SMILES notation for 2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-[(E)-thiophen-2-ylmethylideneamino]acetamide?
The canonical SMILES for 2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-[(E)-thiophen-2-ylmethylideneamino]acetamide is O=C(CN1CCN(Cc2ccc(Cl)cc2)CC1)N/N=C/c1cccs1.
What is the InChIKey of 2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-[(E)-thiophen-2-ylmethylideneamino]acetamide?
The InChIKey is BKIPBAVVQAIHHA-UDWIEESQSA-N. The full InChI is InChI=1S/C18H21ClN4OS/c19-16-5-3-15(4-6-16)13-22-7-9-23(10-8-22)14-18(24)21-20-12-17-2-1-11-25-17/h1-6,11-12H,7-10,13-14H2,(H,21,24)/b20-12+.
What are the key properties of 2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-[(E)-thiophen-2-ylmethylideneamino]acetamide?
2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-[(E)-thiophen-2-ylmethylideneamino]acetamide has a molecular weight of 376.91 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-[(E)-thiophen-2-ylmethylideneamino]acetamide is sourced from PubChem (CID 6887638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).