N-[5-[[[ethylamino-[(1-thiophen-2-ylcyclohexyl)methylamino]methylidene]amino]methyl]-2-methoxyphenyl]acetamide

C24H34N4O2S — CID 111637476

IUPACN-[5-[[[ethylamino-[(1-thiophen-2-ylcyclohexyl)methylamino]methylidene]amino]methyl]-2-methoxyphenyl]acetamide
SMILESCCN/C(=N\Cc1ccc(OC)c(NC(C)=O)c1)NCC1(c2cccs2)CCCCC1
InChIInChI=1S/C24H34N4O2S/c1-4-25-23(26-16-19-10-11-21(30-3)20(15-19)28-18(2)29)27-17-24(12-6-5-7-13-24)22-9-8-14-31-22/h8-11,14-15H,4-7,12-13,16-17H2,1-3H3,(H,28,29)(H2,25,26,27)
InChIKeyLVZDNKOBDNHCIB-UHFFFAOYSA-N
MW442.63 g/mol
LogP4.67
Rot. Bonds8

About N-[5-[[[ethylamino-[(1-thiophen-2-ylcyclohexyl)methylamino]methylidene]amino]methyl]-2-methoxyphenyl]acetamide

N-[5-[[[ethylamino-[(1-thiophen-2-ylcyclohexyl)methylamino]methylidene]amino]methyl]-2-methoxyphenyl]acetamide (PubChem CID 111637476) has the molecular formula C24H34N4O2S and a molecular weight of 442.63 g/mol. Its IUPAC name is N-[5-[[[ethylamino-[(1-thiophen-2-ylcyclohexyl)methylamino]methylidene]amino]methyl]-2-methoxyphenyl]acetamide.

Molecular Properties

Compound NameN-[5-[[[ethylamino-[(1-thiophen-2-ylcyclohexyl)methylamino]methylidene]amino]methyl]-2-methoxyphenyl]acetamide
PubChem CID111637476
Molecular FormulaC24H34N4O2S
Molecular Weight442.63 g/mol
Exact Mass442.24
IUPAC NameN-[5-[[[ethylamino-[(1-thiophen-2-ylcyclohexyl)methylamino]methylidene]amino]methyl]-2-methoxyphenyl]acetamide
SMILESCCN/C(=N\Cc1ccc(OC)c(NC(C)=O)c1)NCC1(c2cccs2)CCCCC1
InChIInChI=1S/C24H34N4O2S/c1-4-25-23(26-16-19-10-11-21(30-3)20(15-19)28-18(2)29)27-17-24(12-6-5-7-13-24)22-9-8-14-31-22/h8-11,14-15H,4-7,12-13,16-17H2,1-3H3,(H,28,29)(H2,25,26,27)
InChIKeyLVZDNKOBDNHCIB-UHFFFAOYSA-N
XLogP4.67
TPSA74.75 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.63
LogP ≤ 54.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[5-[[[ethylamino-[(1-thiophen-2-ylcyclohexyl)methylamino]methylidene]amino]methyl]-2-methoxyphenyl]acetamide with MolForge

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Related Compounds

N-[5-[[[ethylamino-[(1-phenylcyclopentyl)methylamino]methylidene]amino]methyl]-2-methoxyphenyl]acetamide
CID 111852924
N-[5-[[[ethylamino-[(2-hydroxy-2-thiophen-2-ylpropyl)amino]methylidene]amino]methyl]-2-methoxyphenyl]acetamide;hydroiodide
CID 109420161
N-ethyl-2-[[ethylamino-[(1-thiophen-2-ylcyclohexyl)methylamino]methylidene]amino]acetamide;hydroiodide
CID 111637219
1-ethyl-2-[(1-methylpyrazol-4-yl)methyl]-3-[(1-thiophen-2-ylcyclohexyl)methyl]guanidine;hydroiodide
CID 111637119
N-[5-[[[ethylamino-[(2-ethylphenyl)methylamino]methylidene]amino]methyl]-2-methoxyphenyl]acetamide;hydroiodide
CID 111636780
2-[(3,4-dimethoxyphenyl)methyl]-1-ethyl-3-[(1-phenylcyclopropyl)methyl]guanidine
CID 111203066
N-[5-[[[ethylamino-[(2-methyl-2-piperidin-1-ylpropyl)amino]methylidene]amino]methyl]-2-methoxyphenyl]acetamide;hydroiodide
CID 111320311
N-[5-[[[N-ethyl-N'-[(3-fluorophenyl)methyl]carbamimidoyl]amino]methyl]-2-methoxyphenyl]acetamide
CID 111876095
N-[5-[[[(3-cyclohexyloxypropylamino)-(ethylamino)methylidene]amino]methyl]-2-methoxyphenyl]acetamide
CID 111397827
N-[5-[[[N-ethyl-N'-[(3-methylphenyl)methyl]carbamimidoyl]amino]methyl]-2-methoxyphenyl]acetamide;hydroiodide
CID 111899734
1-ethyl-2-[(3-hydroxy-4-methoxyphenyl)methyl]-3-[(1-phenylcyclopropyl)methyl]guanidine;hydroiodide
CID 111999910
N-[5-[[[ethylamino-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]methylidene]amino]methyl]-2-methoxyphenyl]acetamide;hydroiodide
CID 111303970

Frequently Asked Questions

What is the IUPAC name of N-[5-[[[ethylamino-[(1-thiophen-2-ylcyclohexyl)methylamino]methylidene]amino]methyl]-2-methoxyphenyl]acetamide?
The IUPAC name of N-[5-[[[ethylamino-[(1-thiophen-2-ylcyclohexyl)methylamino]methylidene]amino]methyl]-2-methoxyphenyl]acetamide (CID 111637476) is N-[5-[[[ethylamino-[(1-thiophen-2-ylcyclohexyl)methylamino]methylidene]amino]methyl]-2-methoxyphenyl]acetamide.
What is the SMILES notation for N-[5-[[[ethylamino-[(1-thiophen-2-ylcyclohexyl)methylamino]methylidene]amino]methyl]-2-methoxyphenyl]acetamide?
The canonical SMILES for N-[5-[[[ethylamino-[(1-thiophen-2-ylcyclohexyl)methylamino]methylidene]amino]methyl]-2-methoxyphenyl]acetamide is CCN/C(=N\Cc1ccc(OC)c(NC(C)=O)c1)NCC1(c2cccs2)CCCCC1.
What is the InChIKey of N-[5-[[[ethylamino-[(1-thiophen-2-ylcyclohexyl)methylamino]methylidene]amino]methyl]-2-methoxyphenyl]acetamide?
The InChIKey is LVZDNKOBDNHCIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O2S/c1-4-25-23(26-16-19-10-11-21(30-3)20(15-19)28-18(2)29)27-17-24(12-6-5-7-13-24)22-9-8-14-31-22/h8-11,14-15H,4-7,12-13,16-17H2,1-3H3,(H,28,29)(H2,25,26,27).
What are the key properties of N-[5-[[[ethylamino-[(1-thiophen-2-ylcyclohexyl)methylamino]methylidene]amino]methyl]-2-methoxyphenyl]acetamide?
N-[5-[[[ethylamino-[(1-thiophen-2-ylcyclohexyl)methylamino]methylidene]amino]methyl]-2-methoxyphenyl]acetamide has a molecular weight of 442.63 g/mol, XLogP of 4.67, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[[ethylamino-[(1-thiophen-2-ylcyclohexyl)methylamino]methylidene]amino]methyl]-2-methoxyphenyl]acetamide is sourced from PubChem (CID 111637476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).