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

C24H36N4O2S — CID 111283743

IUPAC1-ethyl-2-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-(4-phenylmethoxybutyl)guanidine
SMILESCCN/C(=N\CC(c1cccs1)N1CCOCC1)NCCCCOCc1ccccc1
InChIInChI=1S/C24H36N4O2S/c1-2-25-24(26-12-6-7-15-30-20-21-9-4-3-5-10-21)27-19-22(23-11-8-18-31-23)28-13-16-29-17-14-28/h3-5,8-11,18,22H,2,6-7,12-17,19-20H2,1H3,(H2,25,26,27)
InChIKeyBEQODAKCUQGHDK-UHFFFAOYSA-N
MW444.65 g/mol
LogP3.67
Rot. Bonds12

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

1-ethyl-2-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-(4-phenylmethoxybutyl)guanidine (PubChem CID 111283743) has the molecular formula C24H36N4O2S and a molecular weight of 444.65 g/mol. Its IUPAC name is 1-ethyl-2-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-(4-phenylmethoxybutyl)guanidine.

Molecular Properties

Compound Name1-ethyl-2-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-(4-phenylmethoxybutyl)guanidine
PubChem CID111283743
Molecular FormulaC24H36N4O2S
Molecular Weight444.65 g/mol
Exact Mass444.26
IUPAC Name1-ethyl-2-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-(4-phenylmethoxybutyl)guanidine
SMILESCCN/C(=N\CC(c1cccs1)N1CCOCC1)NCCCCOCc1ccccc1
InChIInChI=1S/C24H36N4O2S/c1-2-25-24(26-12-6-7-15-30-20-21-9-4-3-5-10-21)27-19-22(23-11-8-18-31-23)28-13-16-29-17-14-28/h3-5,8-11,18,22H,2,6-7,12-17,19-20H2,1H3,(H2,25,26,27)
InChIKeyBEQODAKCUQGHDK-UHFFFAOYSA-N
XLogP3.67
TPSA58.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.65
LogP ≤ 53.67
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-(3-phenoxypropyl)guanidine
CID 111283759
1-(2-benzylsulfinylethyl)-3-ethyl-2-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111765032
1-ethyl-3-[3-(4-methoxyphenyl)propyl]-2-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111284108
1-[2-[di(propan-2-yl)amino]ethyl]-3-ethyl-2-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine
CID 111246993
1-ethyl-3-[4-(2-methoxyethoxy)butyl]-2-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111012308
1-ethyl-3-[2-(4-fluorophenyl)ethyl]-2-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine
CID 111228851
methyl 3-[[N-ethyl-N'-(2-morpholin-4-yl-2-thiophen-2-ylethyl)carbamimidoyl]amino]propanoate;hydroiodide
CID 111284666
1-ethyl-3-[2-(2-methoxyphenyl)ethyl]-2-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine
CID 111284849
1-ethyl-2-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-3-(2-phenylmethoxyethyl)guanidine;hydroiodide
CID 111964782
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

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-(4-phenylmethoxybutyl)guanidine?
The IUPAC name of 1-ethyl-2-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-(4-phenylmethoxybutyl)guanidine (CID 111283743) is 1-ethyl-2-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-(4-phenylmethoxybutyl)guanidine.
What is the SMILES notation for 1-ethyl-2-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-(4-phenylmethoxybutyl)guanidine?
The canonical SMILES for 1-ethyl-2-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-(4-phenylmethoxybutyl)guanidine is CCN/C(=N\CC(c1cccs1)N1CCOCC1)NCCCCOCc1ccccc1.
What is the InChIKey of 1-ethyl-2-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-(4-phenylmethoxybutyl)guanidine?
The InChIKey is BEQODAKCUQGHDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N4O2S/c1-2-25-24(26-12-6-7-15-30-20-21-9-4-3-5-10-21)27-19-22(23-11-8-18-31-23)28-13-16-29-17-14-28/h3-5,8-11,18,22H,2,6-7,12-17,19-20H2,1H3,(H2,25,26,27).
What are the key properties of 1-ethyl-2-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-(4-phenylmethoxybutyl)guanidine?
1-ethyl-2-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-(4-phenylmethoxybutyl)guanidine has a molecular weight of 444.65 g/mol, XLogP of 3.67, 12 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-(4-phenylmethoxybutyl)guanidine is sourced from PubChem (CID 111283743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).