1-[2-(furan-2-yl)ethyl]-3-(2-thiophen-2-ylethyl)-2-[(3,4,5-trimethoxyphenyl)methyl]guanidine

C23H29N3O4S — CID 111861967

IUPAC1-[2-(furan-2-yl)ethyl]-3-(2-thiophen-2-ylethyl)-2-[(3,4,5-trimethoxyphenyl)methyl]guanidine
SMILESCOc1cc(C/N=C(\NCCc2ccco2)NCCc2cccs2)cc(OC)c1OC
InChIInChI=1S/C23H29N3O4S/c1-27-20-14-17(15-21(28-2)22(20)29-3)16-26-23(24-10-8-18-6-4-12-30-18)25-11-9-19-7-5-13-31-19/h4-7,12-15H,8-11,16H2,1-3H3,(H2,24,25,26)
InChIKeyIVBIMLVMFXPWAT-UHFFFAOYSA-N
MW443.57 g/mol
LogP3.89
Rot. Bonds11

About 1-[2-(furan-2-yl)ethyl]-3-(2-thiophen-2-ylethyl)-2-[(3,4,5-trimethoxyphenyl)methyl]guanidine

1-[2-(furan-2-yl)ethyl]-3-(2-thiophen-2-ylethyl)-2-[(3,4,5-trimethoxyphenyl)methyl]guanidine (PubChem CID 111861967) has the molecular formula C23H29N3O4S and a molecular weight of 443.57 g/mol. Its IUPAC name is 1-[2-(furan-2-yl)ethyl]-3-(2-thiophen-2-ylethyl)-2-[(3,4,5-trimethoxyphenyl)methyl]guanidine.

Molecular Properties

Compound Name1-[2-(furan-2-yl)ethyl]-3-(2-thiophen-2-ylethyl)-2-[(3,4,5-trimethoxyphenyl)methyl]guanidine
PubChem CID111861967
Molecular FormulaC23H29N3O4S
Molecular Weight443.57 g/mol
Exact Mass443.19
IUPAC Name1-[2-(furan-2-yl)ethyl]-3-(2-thiophen-2-ylethyl)-2-[(3,4,5-trimethoxyphenyl)methyl]guanidine
SMILESCOc1cc(C/N=C(\NCCc2ccco2)NCCc2cccs2)cc(OC)c1OC
InChIInChI=1S/C23H29N3O4S/c1-27-20-14-17(15-21(28-2)22(20)29-3)16-26-23(24-10-8-18-6-4-12-30-18)25-11-9-19-7-5-13-31-19/h4-7,12-15H,8-11,16H2,1-3H3,(H2,24,25,26)
InChIKeyIVBIMLVMFXPWAT-UHFFFAOYSA-N
XLogP3.89
TPSA77.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.57
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-[2-(furan-2-yl)ethyl]-3-(2-thiophen-2-ylethyl)-2-[(3,4,5-trimethoxyphenyl)methyl]guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(furan-2-yl)ethyl]-2-[(3-methoxyphenyl)methyl]-3-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111861221
2-[(3-fluoro-5-methoxyphenyl)methyl]-1-[2-(furan-2-yl)ethyl]-3-(thiophen-2-ylmethyl)guanidine;hydroiodide
CID 110052703
1-[2-(furan-2-yl)ethyl]-2-[(4-methoxyphenyl)methyl]-3-(thiophen-2-ylmethyl)guanidine;hydroiodide
CID 111181726
methyl 4-[[[[2-(furan-2-yl)ethylamino]-(2-thiophen-2-ylethylamino)methylidene]amino]methyl]benzoate;hydroiodide
CID 111860552
1-[2-(furan-2-yl)ethyl]-2-(3-methoxypropyl)-3-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111494527
2-[(3,4-dimethoxyphenyl)methyl]-1-[2-(furan-2-yl)ethyl]-3-[2-(4-methoxyphenyl)ethyl]guanidine
CID 111541053
1-[2-(3-fluorophenyl)ethyl]-3-[2-(furan-2-yl)ethyl]-2-(thiophen-2-ylmethyl)guanidine
CID 111354802
1-[2-(furan-2-yl)ethyl]-3-[2-[(4-methoxyphenyl)methoxy]ethyl]-2-(thiophen-2-ylmethyl)guanidine;hydroiodide
CID 110051301
1-[2-(furan-2-yl)ethyl]-2-(pyridin-2-ylmethyl)-3-(2-thiophen-2-ylethyl)guanidine
CID 111494052
1-[1-(2,5-dimethoxyphenyl)ethyl]-3-[2-(furan-2-yl)ethyl]-2-(thiophen-2-ylmethyl)guanidine;hydroiodide
CID 111378279
1-[2-(furan-2-yl)ethyl]-3-[2-(2-hydroxyethoxy)ethyl]-2-(thiophen-2-ylmethyl)guanidine
CID 111255389
2-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-1-[2-(furan-2-yl)ethyl]-3-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 110058473

Frequently Asked Questions

What is the IUPAC name of 1-[2-(furan-2-yl)ethyl]-3-(2-thiophen-2-ylethyl)-2-[(3,4,5-trimethoxyphenyl)methyl]guanidine?
The IUPAC name of 1-[2-(furan-2-yl)ethyl]-3-(2-thiophen-2-ylethyl)-2-[(3,4,5-trimethoxyphenyl)methyl]guanidine (CID 111861967) is 1-[2-(furan-2-yl)ethyl]-3-(2-thiophen-2-ylethyl)-2-[(3,4,5-trimethoxyphenyl)methyl]guanidine.
What is the SMILES notation for 1-[2-(furan-2-yl)ethyl]-3-(2-thiophen-2-ylethyl)-2-[(3,4,5-trimethoxyphenyl)methyl]guanidine?
The canonical SMILES for 1-[2-(furan-2-yl)ethyl]-3-(2-thiophen-2-ylethyl)-2-[(3,4,5-trimethoxyphenyl)methyl]guanidine is COc1cc(C/N=C(\NCCc2ccco2)NCCc2cccs2)cc(OC)c1OC.
What is the InChIKey of 1-[2-(furan-2-yl)ethyl]-3-(2-thiophen-2-ylethyl)-2-[(3,4,5-trimethoxyphenyl)methyl]guanidine?
The InChIKey is IVBIMLVMFXPWAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O4S/c1-27-20-14-17(15-21(28-2)22(20)29-3)16-26-23(24-10-8-18-6-4-12-30-18)25-11-9-19-7-5-13-31-19/h4-7,12-15H,8-11,16H2,1-3H3,(H2,24,25,26).
What are the key properties of 1-[2-(furan-2-yl)ethyl]-3-(2-thiophen-2-ylethyl)-2-[(3,4,5-trimethoxyphenyl)methyl]guanidine?
1-[2-(furan-2-yl)ethyl]-3-(2-thiophen-2-ylethyl)-2-[(3,4,5-trimethoxyphenyl)methyl]guanidine has a molecular weight of 443.57 g/mol, XLogP of 3.89, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(furan-2-yl)ethyl]-3-(2-thiophen-2-ylethyl)-2-[(3,4,5-trimethoxyphenyl)methyl]guanidine is sourced from PubChem (CID 111861967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).