2-[[ethylamino-[(2-hydroxy-2-thiophen-3-ylpropyl)amino]methylidene]amino]-N-phenylacetamide;hydroiodide

C18H25IN4O2S — CID 111654615

IUPAC2-[[ethylamino-[(2-hydroxy-2-thiophen-3-ylpropyl)amino]methylidene]amino]-N-phenylacetamide;hydroiodide
SMILESCCN/C(=N\CC(=O)Nc1ccccc1)NCC(C)(O)c1ccsc1.I
InChIInChI=1S/C18H24N4O2S.HI/c1-3-19-17(21-13-18(2,24)14-9-10-25-12-14)20-11-16(23)22-15-7-5-4-6-8-15;/h4-10,12,24H,3,11,13H2,1-2H3,(H,22,23)(H2,19,20,21);1H
InChIKeyTUQFFZMNCSIZJK-UHFFFAOYSA-N
MW488.40 g/mol
LogP2.77
Rot. Bonds7

About 2-[[ethylamino-[(2-hydroxy-2-thiophen-3-ylpropyl)amino]methylidene]amino]-N-phenylacetamide;hydroiodide

2-[[ethylamino-[(2-hydroxy-2-thiophen-3-ylpropyl)amino]methylidene]amino]-N-phenylacetamide;hydroiodide (PubChem CID 111654615) has the molecular formula C18H25IN4O2S and a molecular weight of 488.40 g/mol. Its IUPAC name is 2-[[ethylamino-[(2-hydroxy-2-thiophen-3-ylpropyl)amino]methylidene]amino]-N-phenylacetamide;hydroiodide.

Molecular Properties

Compound Name2-[[ethylamino-[(2-hydroxy-2-thiophen-3-ylpropyl)amino]methylidene]amino]-N-phenylacetamide;hydroiodide
PubChem CID111654615
Molecular FormulaC18H25IN4O2S
Molecular Weight488.40 g/mol
Exact Mass488.07
IUPAC Name2-[[ethylamino-[(2-hydroxy-2-thiophen-3-ylpropyl)amino]methylidene]amino]-N-phenylacetamide;hydroiodide
SMILESCCN/C(=N\CC(=O)Nc1ccccc1)NCC(C)(O)c1ccsc1.I
InChIInChI=1S/C18H24N4O2S.HI/c1-3-19-17(21-13-18(2,24)14-9-10-25-12-14)20-11-16(23)22-15-7-5-4-6-8-15;/h4-10,12,24H,3,11,13H2,1-2H3,(H,22,23)(H2,19,20,21);1H
InChIKeyTUQFFZMNCSIZJK-UHFFFAOYSA-N
XLogP2.77
TPSA85.75 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.40
LogP ≤ 52.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 2-[[ethylamino-[(2-hydroxy-2-thiophen-3-ylpropyl)amino]methylidene]amino]-N-phenylacetamide;hydroiodide with MolForge

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

Launch Full Analysis

Related Compounds

N-[3-[[[ethylamino-[(2-hydroxy-2-thiophen-3-ylpropyl)amino]methylidene]amino]methyl]phenyl]butanamide
CID 111654730
1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-phenylurea
CID 111450187
N-cyclohexyl-2-[[ethylamino-[(2-hydroxy-2-thiophen-3-ylpropyl)amino]methylidene]amino]acetamide
CID 111654054
1-ethyl-3-(2-hydroxy-2-thiophen-3-ylpropyl)-2-(2-oxo-2-piperidin-1-ylethyl)guanidine;hydroiodide
CID 111654285
2-[[ethylamino-(2-methylpropylamino)methylidene]amino]-N-phenylacetamide;hydroiodide
CID 111178675
N-ethyl-3-[[[ethylamino-[(2-hydroxy-2-thiophen-3-ylpropyl)amino]methylidene]amino]methyl]benzamide;hydroiodide
CID 111654361
1-ethyl-3-(2-hydroxy-2-thiophen-3-ylpropyl)-2-[(2-methoxyphenyl)methyl]guanidine;hydroiodide
CID 111654045
N-(2-hydroxy-2-thiophen-3-ylpropyl)benzamide
CID 111451803
2-[[ethylamino-(3,3,3-trifluoropropylamino)methylidene]amino]-N-phenylacetamide;hydroiodide
CID 109473614
N-cyclohexyl-2-[[ethylamino-[(2-hydroxy-2-phenylpropyl)amino]methylidene]amino]acetamide;hydroiodide
CID 109418197
1-ethyl-3-(2-hydroxy-2-thiophen-3-ylpropyl)-2-[(2-nitrophenyl)methyl]guanidine
CID 111654148
2-[[ethylamino-[(2-methyl-2-thiophen-2-ylpropyl)amino]methylidene]amino]-N-(4-hydroxyphenyl)acetamide
CID 111985239

Frequently Asked Questions

What is the IUPAC name of 2-[[ethylamino-[(2-hydroxy-2-thiophen-3-ylpropyl)amino]methylidene]amino]-N-phenylacetamide;hydroiodide?
The IUPAC name of 2-[[ethylamino-[(2-hydroxy-2-thiophen-3-ylpropyl)amino]methylidene]amino]-N-phenylacetamide;hydroiodide (CID 111654615) is 2-[[ethylamino-[(2-hydroxy-2-thiophen-3-ylpropyl)amino]methylidene]amino]-N-phenylacetamide;hydroiodide.
What is the SMILES notation for 2-[[ethylamino-[(2-hydroxy-2-thiophen-3-ylpropyl)amino]methylidene]amino]-N-phenylacetamide;hydroiodide?
The canonical SMILES for 2-[[ethylamino-[(2-hydroxy-2-thiophen-3-ylpropyl)amino]methylidene]amino]-N-phenylacetamide;hydroiodide is CCN/C(=N\CC(=O)Nc1ccccc1)NCC(C)(O)c1ccsc1.I.
What is the InChIKey of 2-[[ethylamino-[(2-hydroxy-2-thiophen-3-ylpropyl)amino]methylidene]amino]-N-phenylacetamide;hydroiodide?
The InChIKey is TUQFFZMNCSIZJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2S.HI/c1-3-19-17(21-13-18(2,24)14-9-10-25-12-14)20-11-16(23)22-15-7-5-4-6-8-15;/h4-10,12,24H,3,11,13H2,1-2H3,(H,22,23)(H2,19,20,21);1H.
What are the key properties of 2-[[ethylamino-[(2-hydroxy-2-thiophen-3-ylpropyl)amino]methylidene]amino]-N-phenylacetamide;hydroiodide?
2-[[ethylamino-[(2-hydroxy-2-thiophen-3-ylpropyl)amino]methylidene]amino]-N-phenylacetamide;hydroiodide has a molecular weight of 488.40 g/mol, XLogP of 2.77, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethylamino-[(2-hydroxy-2-thiophen-3-ylpropyl)amino]methylidene]amino]-N-phenylacetamide;hydroiodide is sourced from PubChem (CID 111654615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).