1-(4-ethylphenyl)-2-[2-(4-fluorophenyl)sulfanylethyl]guanidine

C17H20FN3S — CID 111811890

IUPAC1-(4-ethylphenyl)-2-[2-(4-fluorophenyl)sulfanylethyl]guanidine
SMILESCCc1ccc(N/C(N)=N/CCSc2ccc(F)cc2)cc1
InChIInChI=1S/C17H20FN3S/c1-2-13-3-7-15(8-4-13)21-17(19)20-11-12-22-16-9-5-14(18)6-10-16/h3-10H,2,11-12H2,1H3,(H3,19,20,21)
InChIKeyYVLCWLPGHWSDSC-UHFFFAOYSA-N
MW317.43 g/mol
LogP3.91
Rot. Bonds6

About 1-(4-ethylphenyl)-2-[2-(4-fluorophenyl)sulfanylethyl]guanidine

1-(4-ethylphenyl)-2-[2-(4-fluorophenyl)sulfanylethyl]guanidine (PubChem CID 111811890) has the molecular formula C17H20FN3S and a molecular weight of 317.43 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-2-[2-(4-fluorophenyl)sulfanylethyl]guanidine.

Molecular Properties

Compound Name1-(4-ethylphenyl)-2-[2-(4-fluorophenyl)sulfanylethyl]guanidine
PubChem CID111811890
Molecular FormulaC17H20FN3S
Molecular Weight317.43 g/mol
Exact Mass317.14
IUPAC Name1-(4-ethylphenyl)-2-[2-(4-fluorophenyl)sulfanylethyl]guanidine
SMILESCCc1ccc(N/C(N)=N/CCSc2ccc(F)cc2)cc1
InChIInChI=1S/C17H20FN3S/c1-2-13-3-7-15(8-4-13)21-17(19)20-11-12-22-16-9-5-14(18)6-10-16/h3-10H,2,11-12H2,1H3,(H3,19,20,21)
InChIKeyYVLCWLPGHWSDSC-UHFFFAOYSA-N
XLogP3.91
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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'}

Analyze 1-(4-ethylphenyl)-2-[2-(4-fluorophenyl)sulfanylethyl]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-(4-ethylphenyl)-2-(2-phenylsulfanylethyl)guanidine
CID 111033070
1-(4-ethylphenyl)-2-[2-(4-fluorophenyl)-2-hydroxyethyl]guanidine
CID 111058064
1-(4-ethylphenyl)-2-[2-(4-fluorophenyl)-2-hydroxyethyl]guanidine;hydroiodide
CID 111058063
2-[2-(3,5-difluorophenyl)ethyl]-1-(4-ethylphenyl)guanidine
CID 111090301
1,1-diethyl-2-[2-(4-fluorophenyl)sulfanylethyl]guanidine;hydroiodide
CID 111811915
N-[2-[[amino-(4-ethylanilino)methylidene]amino]ethyl]acetamide;hydroiodide
CID 111027931
2-[2-(4-ethylphenyl)ethyl]-1-(4-methylphenyl)guanidine;hydroiodide
CID 111802723
2-[2-(3,4-difluorophenoxy)ethyl]-1-(4-ethylphenyl)guanidine;hydroiodide
CID 111806139
2-[2-(4-fluorophenyl)ethyl]-1-[4-(trifluoromethoxy)phenyl]guanidine
CID 111025535
2-[(3-bromo-5-fluorophenyl)methyl]-1-(4-ethylphenyl)guanidine
CID 111076957
2-[2-(2-butoxyethoxy)ethyl]-1-(4-ethylphenyl)guanidine;hydroiodide
CID 111821812
2-[7-(dimethylamino)heptyl]-1-(4-ethylphenyl)guanidine
CID 111084905

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-2-[2-(4-fluorophenyl)sulfanylethyl]guanidine?
The IUPAC name of 1-(4-ethylphenyl)-2-[2-(4-fluorophenyl)sulfanylethyl]guanidine (CID 111811890) is 1-(4-ethylphenyl)-2-[2-(4-fluorophenyl)sulfanylethyl]guanidine.
What is the SMILES notation for 1-(4-ethylphenyl)-2-[2-(4-fluorophenyl)sulfanylethyl]guanidine?
The canonical SMILES for 1-(4-ethylphenyl)-2-[2-(4-fluorophenyl)sulfanylethyl]guanidine is CCc1ccc(N/C(N)=N/CCSc2ccc(F)cc2)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-2-[2-(4-fluorophenyl)sulfanylethyl]guanidine?
The InChIKey is YVLCWLPGHWSDSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3S/c1-2-13-3-7-15(8-4-13)21-17(19)20-11-12-22-16-9-5-14(18)6-10-16/h3-10H,2,11-12H2,1H3,(H3,19,20,21).
What are the key properties of 1-(4-ethylphenyl)-2-[2-(4-fluorophenyl)sulfanylethyl]guanidine?
1-(4-ethylphenyl)-2-[2-(4-fluorophenyl)sulfanylethyl]guanidine has a molecular weight of 317.43 g/mol, XLogP of 3.91, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-2-[2-(4-fluorophenyl)sulfanylethyl]guanidine is sourced from PubChem (CID 111811890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).