4-hydroxy-N-[(E)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]benzamide

C16H17N3O3S — CID 6907661

IUPAC4-hydroxy-N-[(E)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]benzamide
SMILESO=C(N/N=C/c1ccc(N2CCOCC2)s1)c1ccc(O)cc1
InChIInChI=1S/C16H17N3O3S/c20-13-3-1-12(2-4-13)16(21)18-17-11-14-5-6-15(23-14)19-7-9-22-10-8-19/h1-6,11,20H,7-10H2,(H,18,21)/b17-11+
InChIKeyFDBQXWVXOKTNBU-GZTJUZNOSA-N
MW331.40 g/mol
LogP2.05
Rot. Bonds4

About 4-hydroxy-N-[(E)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]benzamide

4-hydroxy-N-[(E)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]benzamide (PubChem CID 6907661) has the molecular formula C16H17N3O3S and a molecular weight of 331.40 g/mol. Its IUPAC name is 4-hydroxy-N-[(E)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-hydroxy-N-[(E)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]benzamide
PubChem CID6907661
Molecular FormulaC16H17N3O3S
Molecular Weight331.40 g/mol
Exact Mass331.10
IUPAC Name4-hydroxy-N-[(E)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]benzamide
SMILESO=C(N/N=C/c1ccc(N2CCOCC2)s1)c1ccc(O)cc1
InChIInChI=1S/C16H17N3O3S/c20-13-3-1-12(2-4-13)16(21)18-17-11-14-5-6-15(23-14)19-7-9-22-10-8-19/h1-6,11,20H,7-10H2,(H,18,21)/b17-11+
InChIKeyFDBQXWVXOKTNBU-GZTJUZNOSA-N
XLogP2.05
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-hydroxy-N-[(E)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]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-hydroxy-N-[(E)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]benzamide?
The IUPAC name of 4-hydroxy-N-[(E)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]benzamide (CID 6907661) is 4-hydroxy-N-[(E)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]benzamide.
What is the SMILES notation for 4-hydroxy-N-[(E)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]benzamide?
The canonical SMILES for 4-hydroxy-N-[(E)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]benzamide is O=C(N/N=C/c1ccc(N2CCOCC2)s1)c1ccc(O)cc1.
What is the InChIKey of 4-hydroxy-N-[(E)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]benzamide?
The InChIKey is FDBQXWVXOKTNBU-GZTJUZNOSA-N. The full InChI is InChI=1S/C16H17N3O3S/c20-13-3-1-12(2-4-13)16(21)18-17-11-14-5-6-15(23-14)19-7-9-22-10-8-19/h1-6,11,20H,7-10H2,(H,18,21)/b17-11+.
What are the key properties of 4-hydroxy-N-[(E)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]benzamide?
4-hydroxy-N-[(E)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]benzamide has a molecular weight of 331.40 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[(E)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]benzamide is sourced from PubChem (CID 6907661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).