1-ethyl-2-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-(3-phenoxypropyl)guanidine

C22H32N4O2S — CID 111283759

IUPAC1-ethyl-2-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-(3-phenoxypropyl)guanidine
SMILESCCN/C(=N\CC(c1cccs1)N1CCOCC1)NCCCOc1ccccc1
InChIInChI=1S/C22H32N4O2S/c1-2-23-22(24-11-7-14-28-19-8-4-3-5-9-19)25-18-20(21-10-6-17-29-21)26-12-15-27-16-13-26/h3-6,8-10,17,20H,2,7,11-16,18H2,1H3,(H2,23,24,25)
InChIKeyAGVCNYGMFYLGCP-UHFFFAOYSA-N
MW416.59 g/mol
LogP3.15
Rot. Bonds10

About 1-ethyl-2-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-(3-phenoxypropyl)guanidine

1-ethyl-2-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-(3-phenoxypropyl)guanidine (PubChem CID 111283759) has the molecular formula C22H32N4O2S and a molecular weight of 416.59 g/mol. Its IUPAC name is 1-ethyl-2-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-(3-phenoxypropyl)guanidine.

Molecular Properties

Compound Name1-ethyl-2-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-(3-phenoxypropyl)guanidine
PubChem CID111283759
Molecular FormulaC22H32N4O2S
Molecular Weight416.59 g/mol
Exact Mass416.22
IUPAC Name1-ethyl-2-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-(3-phenoxypropyl)guanidine
SMILESCCN/C(=N\CC(c1cccs1)N1CCOCC1)NCCCOc1ccccc1
InChIInChI=1S/C22H32N4O2S/c1-2-23-22(24-11-7-14-28-19-8-4-3-5-9-19)25-18-20(21-10-6-17-29-21)26-12-15-27-16-13-26/h3-6,8-10,17,20H,2,7,11-16,18H2,1H3,(H2,23,24,25)
InChIKeyAGVCNYGMFYLGCP-UHFFFAOYSA-N
XLogP3.15
TPSA58.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.59
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

1-(4-ethoxybutyl)-3-ethyl-2-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine
CID 111283697
1-ethyl-2-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-(4-phenylmethoxybutyl)guanidine
CID 111283743
1-ethyl-3-[3-(4-methoxyphenyl)propyl]-2-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111284108
1-ethyl-2-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-(2-pyridin-2-ylethyl)guanidine
CID 111191306
methyl 3-[[N-ethyl-N'-(2-morpholin-4-yl-2-thiophen-2-ylethyl)carbamimidoyl]amino]propanoate;hydroiodide
CID 111284666
1-[2-(2,4-difluorophenoxy)ethyl]-3-ethyl-2-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111783892
1-ethyl-3-[2-(2-methoxyphenyl)ethyl]-2-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine
CID 111284849
1-[2-(2,6-difluorophenyl)ethyl]-3-ethyl-2-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine
CID 111283481
1-ethyl-2-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-(2-sulfamoylethyl)guanidine
CID 111284759
1-[2-[di(propan-2-yl)amino]ethyl]-3-ethyl-2-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine
CID 111246993
1-ethyl-2-(3-methyl-2-morpholin-4-ylbutyl)-3-(2-phenoxyethyl)guanidine;hydroiodide
CID 111006570
1-ethyl-2-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-3-[3-(oxan-4-yloxy)propyl]guanidine
CID 111667792

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-(3-phenoxypropyl)guanidine?
The IUPAC name of 1-ethyl-2-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-(3-phenoxypropyl)guanidine (CID 111283759) is 1-ethyl-2-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-(3-phenoxypropyl)guanidine.
What is the SMILES notation for 1-ethyl-2-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-(3-phenoxypropyl)guanidine?
The canonical SMILES for 1-ethyl-2-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-(3-phenoxypropyl)guanidine is CCN/C(=N\CC(c1cccs1)N1CCOCC1)NCCCOc1ccccc1.
What is the InChIKey of 1-ethyl-2-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-(3-phenoxypropyl)guanidine?
The InChIKey is AGVCNYGMFYLGCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O2S/c1-2-23-22(24-11-7-14-28-19-8-4-3-5-9-19)25-18-20(21-10-6-17-29-21)26-12-15-27-16-13-26/h3-6,8-10,17,20H,2,7,11-16,18H2,1H3,(H2,23,24,25).
What are the key properties of 1-ethyl-2-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-(3-phenoxypropyl)guanidine?
1-ethyl-2-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-(3-phenoxypropyl)guanidine has a molecular weight of 416.59 g/mol, XLogP of 3.15, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-(3-phenoxypropyl)guanidine is sourced from PubChem (CID 111283759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).