2-[[ethylamino-[(3-ethylsulfanylcyclopentyl)amino]methylidene]amino]-N-(4-hydroxyphenyl)acetamide

C18H28N4O2S — CID 111997273

IUPAC2-[[ethylamino-[(3-ethylsulfanylcyclopentyl)amino]methylidene]amino]-N-(4-hydroxyphenyl)acetamide
SMILESCCN/C(=N\CC(=O)Nc1ccc(O)cc1)NC1CCC(SCC)C1
InChIInChI=1S/C18H28N4O2S/c1-3-19-18(22-14-7-10-16(11-14)25-4-2)20-12-17(24)21-13-5-8-15(23)9-6-13/h5-6,8-9,14,16,23H,3-4,7,10-12H2,1-2H3,(H,21,24)(H2,19,20,22)
InChIKeyYYDPBRJFHJXJTM-UHFFFAOYSA-N
MW364.52 g/mol
LogP2.56
Rot. Bonds7

About 2-[[ethylamino-[(3-ethylsulfanylcyclopentyl)amino]methylidene]amino]-N-(4-hydroxyphenyl)acetamide

2-[[ethylamino-[(3-ethylsulfanylcyclopentyl)amino]methylidene]amino]-N-(4-hydroxyphenyl)acetamide (PubChem CID 111997273) has the molecular formula C18H28N4O2S and a molecular weight of 364.52 g/mol. Its IUPAC name is 2-[[ethylamino-[(3-ethylsulfanylcyclopentyl)amino]methylidene]amino]-N-(4-hydroxyphenyl)acetamide.

Molecular Properties

Compound Name2-[[ethylamino-[(3-ethylsulfanylcyclopentyl)amino]methylidene]amino]-N-(4-hydroxyphenyl)acetamide
PubChem CID111997273
Molecular FormulaC18H28N4O2S
Molecular Weight364.52 g/mol
Exact Mass364.19
IUPAC Name2-[[ethylamino-[(3-ethylsulfanylcyclopentyl)amino]methylidene]amino]-N-(4-hydroxyphenyl)acetamide
SMILESCCN/C(=N\CC(=O)Nc1ccc(O)cc1)NC1CCC(SCC)C1
InChIInChI=1S/C18H28N4O2S/c1-3-19-18(22-14-7-10-16(11-14)25-4-2)20-12-17(24)21-13-5-8-15(23)9-6-13/h5-6,8-9,14,16,23H,3-4,7,10-12H2,1-2H3,(H,21,24)(H2,19,20,22)
InChIKeyYYDPBRJFHJXJTM-UHFFFAOYSA-N
XLogP2.56
TPSA85.75 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.52
LogP ≤ 52.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[[ethylamino-[(3-ethylsulfanylcyclopentyl)amino]methylidene]amino]-N-(4-hydroxyphenyl)acetamide 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

2-[[ethylamino-[(4-methylcyclohexyl)amino]methylidene]amino]-N-(4-hydroxyphenyl)acetamide;hydroiodide
CID 111256866
1-ethyl-3-(3-ethylsulfanylcyclopentyl)-2-[(4-hydroxyphenyl)methyl]guanidine;hydroiodide
CID 111985512
2-[[ethylamino-[[1-(1-methylpyrazol-4-yl)piperidin-3-yl]amino]methylidene]amino]-N-(4-hydroxyphenyl)acetamide
CID 111995591
2-[[(tert-butylamino)-(ethylamino)methylidene]amino]-N-(4-hydroxyphenyl)acetamide
CID 110965522
2-[[ethylamino-(4-methylsulfanylbutylamino)methylidene]amino]-N-(4-hydroxyphenyl)acetamide
CID 111985793
2-[[ethylamino-(3-methylbutan-2-ylamino)methylidene]amino]-N-(4-hydroxyphenyl)acetamide
CID 111001371
2-[[(3-ethoxypropylamino)-(ethylamino)methylidene]amino]-N-(4-hydroxyphenyl)acetamide;hydroiodide
CID 111224592
2-[[ethylamino-[(3-ethylsulfanylcyclohexyl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110042569
N-tert-butyl-2-[[ethylamino-[(3-methylsulfanylcyclopentyl)amino]methylidene]amino]acetamide
CID 111528369
2-[[ethylamino-(furan-2-ylmethylamino)methylidene]amino]-N-(4-hydroxyphenyl)acetamide;hydroiodide
CID 110937867
tert-butyl 3-[[N-ethyl-N'-[2-(4-fluoroanilino)-2-oxoethyl]carbamimidoyl]amino]azetidine-1-carboxylate
CID 109466096
N-[(1S,3S)-3-ethylsulfanylcyclopentyl]-2-(3-hydroxyphenyl)acetamide
CID 95990381

Frequently Asked Questions

What is the IUPAC name of 2-[[ethylamino-[(3-ethylsulfanylcyclopentyl)amino]methylidene]amino]-N-(4-hydroxyphenyl)acetamide?
The IUPAC name of 2-[[ethylamino-[(3-ethylsulfanylcyclopentyl)amino]methylidene]amino]-N-(4-hydroxyphenyl)acetamide (CID 111997273) is 2-[[ethylamino-[(3-ethylsulfanylcyclopentyl)amino]methylidene]amino]-N-(4-hydroxyphenyl)acetamide.
What is the SMILES notation for 2-[[ethylamino-[(3-ethylsulfanylcyclopentyl)amino]methylidene]amino]-N-(4-hydroxyphenyl)acetamide?
The canonical SMILES for 2-[[ethylamino-[(3-ethylsulfanylcyclopentyl)amino]methylidene]amino]-N-(4-hydroxyphenyl)acetamide is CCN/C(=N\CC(=O)Nc1ccc(O)cc1)NC1CCC(SCC)C1.
What is the InChIKey of 2-[[ethylamino-[(3-ethylsulfanylcyclopentyl)amino]methylidene]amino]-N-(4-hydroxyphenyl)acetamide?
The InChIKey is YYDPBRJFHJXJTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2S/c1-3-19-18(22-14-7-10-16(11-14)25-4-2)20-12-17(24)21-13-5-8-15(23)9-6-13/h5-6,8-9,14,16,23H,3-4,7,10-12H2,1-2H3,(H,21,24)(H2,19,20,22).
What are the key properties of 2-[[ethylamino-[(3-ethylsulfanylcyclopentyl)amino]methylidene]amino]-N-(4-hydroxyphenyl)acetamide?
2-[[ethylamino-[(3-ethylsulfanylcyclopentyl)amino]methylidene]amino]-N-(4-hydroxyphenyl)acetamide has a molecular weight of 364.52 g/mol, XLogP of 2.56, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethylamino-[(3-ethylsulfanylcyclopentyl)amino]methylidene]amino]-N-(4-hydroxyphenyl)acetamide is sourced from PubChem (CID 111997273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).