3-bromo-N-[2-oxo-2-[(2E)-2-(thiophen-2-ylmethylidene)hydrazinyl]ethyl]benzamide

C14H12BrN3O2S — CID 6895716

IUPAC3-bromo-N-[2-oxo-2-[(2E)-2-(thiophen-2-ylmethylidene)hydrazinyl]ethyl]benzamide
SMILESO=C(CNC(=O)c1cccc(Br)c1)N/N=C/c1cccs1
InChIInChI=1S/C14H12BrN3O2S/c15-11-4-1-3-10(7-11)14(20)16-9-13(19)18-17-8-12-5-2-6-21-12/h1-8H,9H2,(H,16,20)(H,18,19)/b17-8+
InChIKeyVZMPGCOPEUQAEN-CAOOACKPSA-N
MW366.24 g/mol
LogP2.39
Rot. Bonds5

About 3-bromo-N-[2-oxo-2-[(2E)-2-(thiophen-2-ylmethylidene)hydrazinyl]ethyl]benzamide

3-bromo-N-[2-oxo-2-[(2E)-2-(thiophen-2-ylmethylidene)hydrazinyl]ethyl]benzamide (PubChem CID 6895716) has the molecular formula C14H12BrN3O2S and a molecular weight of 366.24 g/mol. Its IUPAC name is 3-bromo-N-[2-oxo-2-[(2E)-2-(thiophen-2-ylmethylidene)hydrazinyl]ethyl]benzamide.

Molecular Properties

Compound Name3-bromo-N-[2-oxo-2-[(2E)-2-(thiophen-2-ylmethylidene)hydrazinyl]ethyl]benzamide
PubChem CID6895716
Molecular FormulaC14H12BrN3O2S
Molecular Weight366.24 g/mol
Exact Mass364.98
IUPAC Name3-bromo-N-[2-oxo-2-[(2E)-2-(thiophen-2-ylmethylidene)hydrazinyl]ethyl]benzamide
SMILESO=C(CNC(=O)c1cccc(Br)c1)N/N=C/c1cccs1
InChIInChI=1S/C14H12BrN3O2S/c15-11-4-1-3-10(7-11)14(20)16-9-13(19)18-17-8-12-5-2-6-21-12/h1-8H,9H2,(H,16,20)(H,18,19)/b17-8+
InChIKeyVZMPGCOPEUQAEN-CAOOACKPSA-N
XLogP2.39
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.24
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-bromo-N-[2-oxo-2-[(2E)-2-(thiophen-2-ylmethylidene)hydrazinyl]ethyl]benzamide 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 3-bromo-N-[2-oxo-2-[(2E)-2-(thiophen-2-ylmethylidene)hydrazinyl]ethyl]benzamide?
The IUPAC name of 3-bromo-N-[2-oxo-2-[(2E)-2-(thiophen-2-ylmethylidene)hydrazinyl]ethyl]benzamide (CID 6895716) is 3-bromo-N-[2-oxo-2-[(2E)-2-(thiophen-2-ylmethylidene)hydrazinyl]ethyl]benzamide.
What is the SMILES notation for 3-bromo-N-[2-oxo-2-[(2E)-2-(thiophen-2-ylmethylidene)hydrazinyl]ethyl]benzamide?
The canonical SMILES for 3-bromo-N-[2-oxo-2-[(2E)-2-(thiophen-2-ylmethylidene)hydrazinyl]ethyl]benzamide is O=C(CNC(=O)c1cccc(Br)c1)N/N=C/c1cccs1.
What is the InChIKey of 3-bromo-N-[2-oxo-2-[(2E)-2-(thiophen-2-ylmethylidene)hydrazinyl]ethyl]benzamide?
The InChIKey is VZMPGCOPEUQAEN-CAOOACKPSA-N. The full InChI is InChI=1S/C14H12BrN3O2S/c15-11-4-1-3-10(7-11)14(20)16-9-13(19)18-17-8-12-5-2-6-21-12/h1-8H,9H2,(H,16,20)(H,18,19)/b17-8+.
What are the key properties of 3-bromo-N-[2-oxo-2-[(2E)-2-(thiophen-2-ylmethylidene)hydrazinyl]ethyl]benzamide?
3-bromo-N-[2-oxo-2-[(2E)-2-(thiophen-2-ylmethylidene)hydrazinyl]ethyl]benzamide has a molecular weight of 366.24 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[2-oxo-2-[(2E)-2-(thiophen-2-ylmethylidene)hydrazinyl]ethyl]benzamide is sourced from PubChem (CID 6895716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).