4-pyrrol-1-yl-N-[(E)-thiophen-2-ylmethylideneamino]benzamide

C16H13N3OS — CID 6875099

IUPAC4-pyrrol-1-yl-N-[(E)-thiophen-2-ylmethylideneamino]benzamide
SMILESO=C(N/N=C/c1cccs1)c1ccc(-n2cccc2)cc1
InChIInChI=1S/C16H13N3OS/c20-16(18-17-12-15-4-3-11-21-15)13-5-7-14(8-6-13)19-9-1-2-10-19/h1-12H,(H,18,20)/b17-12+
InChIKeySLNQFQIYABOZQH-SFQUDFHCSA-N
MW295.37 g/mol
LogP3.30
Rot. Bonds4

About 4-pyrrol-1-yl-N-[(E)-thiophen-2-ylmethylideneamino]benzamide

4-pyrrol-1-yl-N-[(E)-thiophen-2-ylmethylideneamino]benzamide (PubChem CID 6875099) has the molecular formula C16H13N3OS and a molecular weight of 295.37 g/mol. Its IUPAC name is 4-pyrrol-1-yl-N-[(E)-thiophen-2-ylmethylideneamino]benzamide.

Molecular Properties

Compound Name4-pyrrol-1-yl-N-[(E)-thiophen-2-ylmethylideneamino]benzamide
PubChem CID6875099
Molecular FormulaC16H13N3OS
Molecular Weight295.37 g/mol
Exact Mass295.08
IUPAC Name4-pyrrol-1-yl-N-[(E)-thiophen-2-ylmethylideneamino]benzamide
SMILESO=C(N/N=C/c1cccs1)c1ccc(-n2cccc2)cc1
InChIInChI=1S/C16H13N3OS/c20-16(18-17-12-15-4-3-11-21-15)13-5-7-14(8-6-13)19-9-1-2-10-19/h1-12H,(H,18,20)/b17-12+
InChIKeySLNQFQIYABOZQH-SFQUDFHCSA-N
XLogP3.30
TPSA46.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 53.30
H-Bond Donors ≤ 51
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 4-pyrrol-1-yl-N-[(E)-thiophen-2-ylmethylideneamino]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 4-pyrrol-1-yl-N-[(E)-thiophen-2-ylmethylideneamino]benzamide?
The IUPAC name of 4-pyrrol-1-yl-N-[(E)-thiophen-2-ylmethylideneamino]benzamide (CID 6875099) is 4-pyrrol-1-yl-N-[(E)-thiophen-2-ylmethylideneamino]benzamide.
What is the SMILES notation for 4-pyrrol-1-yl-N-[(E)-thiophen-2-ylmethylideneamino]benzamide?
The canonical SMILES for 4-pyrrol-1-yl-N-[(E)-thiophen-2-ylmethylideneamino]benzamide is O=C(N/N=C/c1cccs1)c1ccc(-n2cccc2)cc1.
What is the InChIKey of 4-pyrrol-1-yl-N-[(E)-thiophen-2-ylmethylideneamino]benzamide?
The InChIKey is SLNQFQIYABOZQH-SFQUDFHCSA-N. The full InChI is InChI=1S/C16H13N3OS/c20-16(18-17-12-15-4-3-11-21-15)13-5-7-14(8-6-13)19-9-1-2-10-19/h1-12H,(H,18,20)/b17-12+.
What are the key properties of 4-pyrrol-1-yl-N-[(E)-thiophen-2-ylmethylideneamino]benzamide?
4-pyrrol-1-yl-N-[(E)-thiophen-2-ylmethylideneamino]benzamide has a molecular weight of 295.37 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrrol-1-yl-N-[(E)-thiophen-2-ylmethylideneamino]benzamide is sourced from PubChem (CID 6875099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).