N-[2-[[ethylamino-(2-phenylsulfanylethylamino)methylidene]amino]ethyl]-4-hydroxybenzamide

C20H26N4O2S — CID 111372663

IUPACN-[2-[[ethylamino-(2-phenylsulfanylethylamino)methylidene]amino]ethyl]-4-hydroxybenzamide
SMILESCCN/C(=N\CCNC(=O)c1ccc(O)cc1)NCCSc1ccccc1
InChIInChI=1S/C20H26N4O2S/c1-2-21-20(24-14-15-27-18-6-4-3-5-7-18)23-13-12-22-19(26)16-8-10-17(25)11-9-16/h3-11,25H,2,12-15H2,1H3,(H,22,26)(H2,21,23,24)
InChIKeyRTKKHAXAWLJWKN-UHFFFAOYSA-N
MW386.52 g/mol
LogP2.47
Rot. Bonds9

About N-[2-[[ethylamino-(2-phenylsulfanylethylamino)methylidene]amino]ethyl]-4-hydroxybenzamide

N-[2-[[ethylamino-(2-phenylsulfanylethylamino)methylidene]amino]ethyl]-4-hydroxybenzamide (PubChem CID 111372663) has the molecular formula C20H26N4O2S and a molecular weight of 386.52 g/mol. Its IUPAC name is N-[2-[[ethylamino-(2-phenylsulfanylethylamino)methylidene]amino]ethyl]-4-hydroxybenzamide.

Molecular Properties

Compound NameN-[2-[[ethylamino-(2-phenylsulfanylethylamino)methylidene]amino]ethyl]-4-hydroxybenzamide
PubChem CID111372663
Molecular FormulaC20H26N4O2S
Molecular Weight386.52 g/mol
Exact Mass386.18
IUPAC NameN-[2-[[ethylamino-(2-phenylsulfanylethylamino)methylidene]amino]ethyl]-4-hydroxybenzamide
SMILESCCN/C(=N\CCNC(=O)c1ccc(O)cc1)NCCSc1ccccc1
InChIInChI=1S/C20H26N4O2S/c1-2-21-20(24-14-15-27-18-6-4-3-5-7-18)23-13-12-22-19(26)16-8-10-17(25)11-9-16/h3-11,25H,2,12-15H2,1H3,(H,22,26)(H2,21,23,24)
InChIKeyRTKKHAXAWLJWKN-UHFFFAOYSA-N
XLogP2.47
TPSA85.75 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 52.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[[ethylamino-(2-phenylsulfanylethylamino)methylidene]amino]ethyl]-2-methylpropanamide;hydroiodide
CID 111373386
N,N-diethyl-3-[[ethylamino-(2-phenylsulfanylethylamino)methylidene]amino]propanamide;hydroiodide
CID 111373562
N-[2-[[N-ethyl-N'-(2-methoxyethyl)carbamimidoyl]amino]ethyl]benzamide
CID 110940306
1-ethyl-2-(2-methylsulfonylethyl)-3-(2-phenylsulfanylethyl)guanidine;hydroiodide
CID 111373262
2-[[ethylamino-(2-phenylsulfanylethylamino)methylidene]amino]-N-(2-phenylethyl)acetamide
CID 111373339
3-[[ethylamino-(2-phenylsulfanylethylamino)methylidene]amino]-N-propan-2-ylpropanamide;hydroiodide
CID 111372688
N-ethyl-4-[[[N'-methyl-N-(2-phenylsulfanylethyl)carbamimidoyl]amino]methyl]benzamide;hydroiodide
CID 111372436
2-[[ethylamino-(2-phenylsulfanylethylamino)methylidene]amino]-N-(2-phenylethyl)acetamide;hydroiodide
CID 111373338
N-[2-[bis(ethylamino)methylideneamino]ethyl]-4-chlorobenzamide
CID 138994545
N-[2-[[ethylamino-(2-phenoxyethylamino)methylidene]amino]ethyl]-4-methoxybenzamide
CID 111004871
1-ethyl-2-[3-(methanesulfonamido)propyl]-3-(2-phenylsulfanylethyl)guanidine;hydroiodide
CID 111372486
2-[[[2-(4-chlorophenyl)sulfanylethylamino]-(ethylamino)methylidene]amino]-N-(4-hydroxyphenyl)acetamide
CID 111372373

Frequently Asked Questions

What is the IUPAC name of N-[2-[[ethylamino-(2-phenylsulfanylethylamino)methylidene]amino]ethyl]-4-hydroxybenzamide?
The IUPAC name of N-[2-[[ethylamino-(2-phenylsulfanylethylamino)methylidene]amino]ethyl]-4-hydroxybenzamide (CID 111372663) is N-[2-[[ethylamino-(2-phenylsulfanylethylamino)methylidene]amino]ethyl]-4-hydroxybenzamide.
What is the SMILES notation for N-[2-[[ethylamino-(2-phenylsulfanylethylamino)methylidene]amino]ethyl]-4-hydroxybenzamide?
The canonical SMILES for N-[2-[[ethylamino-(2-phenylsulfanylethylamino)methylidene]amino]ethyl]-4-hydroxybenzamide is CCN/C(=N\CCNC(=O)c1ccc(O)cc1)NCCSc1ccccc1.
What is the InChIKey of N-[2-[[ethylamino-(2-phenylsulfanylethylamino)methylidene]amino]ethyl]-4-hydroxybenzamide?
The InChIKey is RTKKHAXAWLJWKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2S/c1-2-21-20(24-14-15-27-18-6-4-3-5-7-18)23-13-12-22-19(26)16-8-10-17(25)11-9-16/h3-11,25H,2,12-15H2,1H3,(H,22,26)(H2,21,23,24).
What are the key properties of N-[2-[[ethylamino-(2-phenylsulfanylethylamino)methylidene]amino]ethyl]-4-hydroxybenzamide?
N-[2-[[ethylamino-(2-phenylsulfanylethylamino)methylidene]amino]ethyl]-4-hydroxybenzamide has a molecular weight of 386.52 g/mol, XLogP of 2.47, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[ethylamino-(2-phenylsulfanylethylamino)methylidene]amino]ethyl]-4-hydroxybenzamide is sourced from PubChem (CID 111372663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).