2-[2-(diethylamino)-2-(furan-2-yl)ethyl]-1-ethyl-3-[2-(4-methylsulfonylphenyl)ethyl]guanidine

C22H34N4O3S — CID 111614457

IUPAC2-[2-(diethylamino)-2-(furan-2-yl)ethyl]-1-ethyl-3-[2-(4-methylsulfonylphenyl)ethyl]guanidine
SMILESCCN/C(=N\CC(c1ccco1)N(CC)CC)NCCc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C22H34N4O3S/c1-5-23-22(24-15-14-18-10-12-19(13-11-18)30(4,27)28)25-17-20(26(6-2)7-3)21-9-8-16-29-21/h8-13,16,20H,5-7,14-15,17H2,1-4H3,(H2,23,24,25)
InChIKeyWPIOUIYDNMFKGQ-UHFFFAOYSA-N
MW434.61 g/mol
LogP2.86
Rot. Bonds11

About 2-[2-(diethylamino)-2-(furan-2-yl)ethyl]-1-ethyl-3-[2-(4-methylsulfonylphenyl)ethyl]guanidine

2-[2-(diethylamino)-2-(furan-2-yl)ethyl]-1-ethyl-3-[2-(4-methylsulfonylphenyl)ethyl]guanidine (PubChem CID 111614457) has the molecular formula C22H34N4O3S and a molecular weight of 434.61 g/mol. Its IUPAC name is 2-[2-(diethylamino)-2-(furan-2-yl)ethyl]-1-ethyl-3-[2-(4-methylsulfonylphenyl)ethyl]guanidine.

Molecular Properties

Compound Name2-[2-(diethylamino)-2-(furan-2-yl)ethyl]-1-ethyl-3-[2-(4-methylsulfonylphenyl)ethyl]guanidine
PubChem CID111614457
Molecular FormulaC22H34N4O3S
Molecular Weight434.61 g/mol
Exact Mass434.24
IUPAC Name2-[2-(diethylamino)-2-(furan-2-yl)ethyl]-1-ethyl-3-[2-(4-methylsulfonylphenyl)ethyl]guanidine
SMILESCCN/C(=N\CC(c1ccco1)N(CC)CC)NCCc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C22H34N4O3S/c1-5-23-22(24-15-14-18-10-12-19(13-11-18)30(4,27)28)25-17-20(26(6-2)7-3)21-9-8-16-29-21/h8-13,16,20H,5-7,14-15,17H2,1-4H3,(H2,23,24,25)
InChIKeyWPIOUIYDNMFKGQ-UHFFFAOYSA-N
XLogP2.86
TPSA86.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.61
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-2-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[2-(4-methylsulfonylphenyl)ethyl]guanidine
CID 111614875
2-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1-ethyl-3-(2-phenylethyl)guanidine
CID 111134143
1-tert-butyl-2-[2-(diethylamino)-2-(furan-2-yl)ethyl]-3-ethylguanidine
CID 110964281
1-ethyl-2-[2-[ethyl(propan-2-yl)amino]ethyl]-3-[2-(4-methylsulfonylphenyl)ethyl]guanidine;hydroiodide
CID 111613206
3-[[N'-[2-(diethylamino)-2-(furan-2-yl)ethyl]-N-ethylcarbamimidoyl]amino]-N,N-diethylpropanamide;hydroiodide
CID 111941684
1-ethyl-3-[2-(4-methylsulfonylphenyl)ethyl]-2-(2-phenylpropyl)guanidine
CID 111613786
2-[2-(diethylamino)-2-(furan-2-yl)ethyl]-1-ethyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine
CID 111932669
2-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1-ethyl-3-[2-(4-pyrazol-1-ylphenyl)ethyl]guanidine
CID 111863842
1-[2-(2-butoxyethoxy)ethyl]-2-[2-(diethylamino)-2-(furan-2-yl)ethyl]-3-ethylguanidine;hydroiodide
CID 111693769
2-butyl-1-ethyl-3-[2-(4-methylsulfonylphenyl)ethyl]guanidine
CID 111614327
2-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1-ethyl-3-[2-(4-pyrazol-1-ylphenyl)ethyl]guanidine;hydroiodide
CID 111863841
2-[2-(diethylamino)-2-(furan-2-yl)ethyl]-1-ethyl-3-[3-(2-methoxyethoxy)propyl]guanidine;hydroiodide
CID 111404746

Frequently Asked Questions

What is the IUPAC name of 2-[2-(diethylamino)-2-(furan-2-yl)ethyl]-1-ethyl-3-[2-(4-methylsulfonylphenyl)ethyl]guanidine?
The IUPAC name of 2-[2-(diethylamino)-2-(furan-2-yl)ethyl]-1-ethyl-3-[2-(4-methylsulfonylphenyl)ethyl]guanidine (CID 111614457) is 2-[2-(diethylamino)-2-(furan-2-yl)ethyl]-1-ethyl-3-[2-(4-methylsulfonylphenyl)ethyl]guanidine.
What is the SMILES notation for 2-[2-(diethylamino)-2-(furan-2-yl)ethyl]-1-ethyl-3-[2-(4-methylsulfonylphenyl)ethyl]guanidine?
The canonical SMILES for 2-[2-(diethylamino)-2-(furan-2-yl)ethyl]-1-ethyl-3-[2-(4-methylsulfonylphenyl)ethyl]guanidine is CCN/C(=N\CC(c1ccco1)N(CC)CC)NCCc1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 2-[2-(diethylamino)-2-(furan-2-yl)ethyl]-1-ethyl-3-[2-(4-methylsulfonylphenyl)ethyl]guanidine?
The InChIKey is WPIOUIYDNMFKGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N4O3S/c1-5-23-22(24-15-14-18-10-12-19(13-11-18)30(4,27)28)25-17-20(26(6-2)7-3)21-9-8-16-29-21/h8-13,16,20H,5-7,14-15,17H2,1-4H3,(H2,23,24,25).
What are the key properties of 2-[2-(diethylamino)-2-(furan-2-yl)ethyl]-1-ethyl-3-[2-(4-methylsulfonylphenyl)ethyl]guanidine?
2-[2-(diethylamino)-2-(furan-2-yl)ethyl]-1-ethyl-3-[2-(4-methylsulfonylphenyl)ethyl]guanidine has a molecular weight of 434.61 g/mol, XLogP of 2.86, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diethylamino)-2-(furan-2-yl)ethyl]-1-ethyl-3-[2-(4-methylsulfonylphenyl)ethyl]guanidine is sourced from PubChem (CID 111614457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).