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

C16H26N4O2S — CID 111985793

IUPAC2-[[ethylamino-(4-methylsulfanylbutylamino)methylidene]amino]-N-(4-hydroxyphenyl)acetamide
SMILESCCN/C(=N\CC(=O)Nc1ccc(O)cc1)NCCCCSC
InChIInChI=1S/C16H26N4O2S/c1-3-17-16(18-10-4-5-11-23-2)19-12-15(22)20-13-6-8-14(21)9-7-13/h6-9,21H,3-5,10-12H2,1-2H3,(H,20,22)(H2,17,18,19)
InChIKeyJEXLWPOUXPQPFX-UHFFFAOYSA-N
MW338.48 g/mol
LogP2.03
Rot. Bonds9

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

2-[[ethylamino-(4-methylsulfanylbutylamino)methylidene]amino]-N-(4-hydroxyphenyl)acetamide (PubChem CID 111985793) has the molecular formula C16H26N4O2S and a molecular weight of 338.48 g/mol. Its IUPAC name is 2-[[ethylamino-(4-methylsulfanylbutylamino)methylidene]amino]-N-(4-hydroxyphenyl)acetamide.

Molecular Properties

Compound Name2-[[ethylamino-(4-methylsulfanylbutylamino)methylidene]amino]-N-(4-hydroxyphenyl)acetamide
PubChem CID111985793
Molecular FormulaC16H26N4O2S
Molecular Weight338.48 g/mol
Exact Mass338.18
IUPAC Name2-[[ethylamino-(4-methylsulfanylbutylamino)methylidene]amino]-N-(4-hydroxyphenyl)acetamide
SMILESCCN/C(=N\CC(=O)Nc1ccc(O)cc1)NCCCCSC
InChIInChI=1S/C16H26N4O2S/c1-3-17-16(18-10-4-5-11-23-2)19-12-15(22)20-13-6-8-14(21)9-7-13/h6-9,21H,3-5,10-12H2,1-2H3,(H,20,22)(H2,17,18,19)
InChIKeyJEXLWPOUXPQPFX-UHFFFAOYSA-N
XLogP2.03
TPSA85.75 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.48
LogP ≤ 52.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[(3-ethoxypropylamino)-(ethylamino)methylidene]amino]-N-(4-hydroxyphenyl)acetamide;hydroiodide
CID 111224592
2-[[[2-(4-chlorophenyl)sulfanylethylamino]-(ethylamino)methylidene]amino]-N-(4-hydroxyphenyl)acetamide
CID 111372373
2-[[ethylamino-[3-(2-methylpropoxy)propylamino]methylidene]amino]-N-(4-hydroxyphenyl)acetamide
CID 111402613
2-[[(tert-butylamino)-(ethylamino)methylidene]amino]-N-(4-hydroxyphenyl)acetamide
CID 110965522
2-[[ethylamino-[3-(2-methylpropoxy)propylamino]methylidene]amino]-N-(4-hydroxyphenyl)acetamide;hydroiodide
CID 111402612
2-[[ethylamino-(3-methylbutan-2-ylamino)methylidene]amino]-N-(4-hydroxyphenyl)acetamide
CID 111001371
2-[[ethylamino-(2-phenylmethoxyethylamino)methylidene]amino]-N-(4-hydroxyphenyl)acetamide;hydroiodide
CID 111989258
2-[[ethylamino-(2-methylsulfanylethylamino)methylidene]amino]-N-(3-ethylphenyl)acetamide;hydroiodide
CID 111344294
2-[[ethylamino-[2-(3-ethyl-1,2,4-triazol-4-yl)ethylamino]methylidene]amino]-N-(4-hydroxyphenyl)acetamide
CID 111988521
N-(4-chlorophenyl)-4-[[ethylamino-(2-methylsulfanylethylamino)methylidene]amino]butanamide
CID 111345345
2-[[ethylamino-(furan-2-ylmethylamino)methylidene]amino]-N-(4-hydroxyphenyl)acetamide;hydroiodide
CID 110937867
N-[4-[2-[[N-ethyl-N'-(4-methylsulfanylbutyl)carbamimidoyl]amino]ethyl]phenyl]acetamide;hydroiodide
CID 111628297

Frequently Asked Questions

What is the IUPAC name of 2-[[ethylamino-(4-methylsulfanylbutylamino)methylidene]amino]-N-(4-hydroxyphenyl)acetamide?
The IUPAC name of 2-[[ethylamino-(4-methylsulfanylbutylamino)methylidene]amino]-N-(4-hydroxyphenyl)acetamide (CID 111985793) is 2-[[ethylamino-(4-methylsulfanylbutylamino)methylidene]amino]-N-(4-hydroxyphenyl)acetamide.
What is the SMILES notation for 2-[[ethylamino-(4-methylsulfanylbutylamino)methylidene]amino]-N-(4-hydroxyphenyl)acetamide?
The canonical SMILES for 2-[[ethylamino-(4-methylsulfanylbutylamino)methylidene]amino]-N-(4-hydroxyphenyl)acetamide is CCN/C(=N\CC(=O)Nc1ccc(O)cc1)NCCCCSC.
What is the InChIKey of 2-[[ethylamino-(4-methylsulfanylbutylamino)methylidene]amino]-N-(4-hydroxyphenyl)acetamide?
The InChIKey is JEXLWPOUXPQPFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2S/c1-3-17-16(18-10-4-5-11-23-2)19-12-15(22)20-13-6-8-14(21)9-7-13/h6-9,21H,3-5,10-12H2,1-2H3,(H,20,22)(H2,17,18,19).
What are the key properties of 2-[[ethylamino-(4-methylsulfanylbutylamino)methylidene]amino]-N-(4-hydroxyphenyl)acetamide?
2-[[ethylamino-(4-methylsulfanylbutylamino)methylidene]amino]-N-(4-hydroxyphenyl)acetamide has a molecular weight of 338.48 g/mol, XLogP of 2.03, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethylamino-(4-methylsulfanylbutylamino)methylidene]amino]-N-(4-hydroxyphenyl)acetamide is sourced from PubChem (CID 111985793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).