2-(3,3-diphenylpropyl)-1-ethyl-3-(2-sulfamoylethyl)guanidine

C20H28N4O2S — CID 111233859

IUPAC2-(3,3-diphenylpropyl)-1-ethyl-3-(2-sulfamoylethyl)guanidine
SMILESCCN/C(=N\CCC(c1ccccc1)c1ccccc1)NCCS(N)(=O)=O
InChIInChI=1S/C20H28N4O2S/c1-2-22-20(24-15-16-27(21,25)26)23-14-13-19(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19H,2,13-16H2,1H3,(H2,21,25,26)(H2,22,23,24)
InChIKeyTXDUDYFTLWAQGW-UHFFFAOYSA-N
MW388.54 g/mol
LogP2.05
Rot. Bonds9

About 2-(3,3-diphenylpropyl)-1-ethyl-3-(2-sulfamoylethyl)guanidine

2-(3,3-diphenylpropyl)-1-ethyl-3-(2-sulfamoylethyl)guanidine (PubChem CID 111233859) has the molecular formula C20H28N4O2S and a molecular weight of 388.54 g/mol. Its IUPAC name is 2-(3,3-diphenylpropyl)-1-ethyl-3-(2-sulfamoylethyl)guanidine.

Molecular Properties

Compound Name2-(3,3-diphenylpropyl)-1-ethyl-3-(2-sulfamoylethyl)guanidine
PubChem CID111233859
Molecular FormulaC20H28N4O2S
Molecular Weight388.54 g/mol
Exact Mass388.19
IUPAC Name2-(3,3-diphenylpropyl)-1-ethyl-3-(2-sulfamoylethyl)guanidine
SMILESCCN/C(=N\CCC(c1ccccc1)c1ccccc1)NCCS(N)(=O)=O
InChIInChI=1S/C20H28N4O2S/c1-2-22-20(24-15-16-27(21,25)26)23-14-13-19(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19H,2,13-16H2,1H3,(H2,21,25,26)(H2,22,23,24)
InChIKeyTXDUDYFTLWAQGW-UHFFFAOYSA-N
XLogP2.05
TPSA96.58 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.54
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

2-(3,3-diphenylpropyl)-1-ethyl-3-(2-methylsulfonylethyl)guanidine;hydroiodide
CID 111233604
2-benzyl-1-ethyl-3-(2-sulfamoylethyl)guanidine
CID 110954988
2-[2-(diethylamino)-2-phenylethyl]-1-ethyl-3-(2-sulfamoylethyl)guanidine;hydroiodide
CID 111011334
1-(3,3-diphenylpropyl)-3-ethyl-2-[3-(methanesulfonamido)propyl]guanidine
CID 111233665
1-ethyl-2-(3-hydroxy-3-phenylpropyl)-3-[2-(methanesulfonamido)ethyl]guanidine;hydroiodide
CID 111665389
1-ethyl-2-(2-phenylsulfanylpropyl)-3-(2-sulfamoylethyl)guanidine;hydroiodide
CID 111676697
2-[3-[benzyl(methyl)amino]butyl]-1-ethyl-3-(2-ethylsulfonylethyl)guanidine;hydroiodide
CID 111719881
1-ethyl-3-(3-hydroxy-3-phenylpropyl)-2-propylguanidine
CID 111665374
1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-2-(3,3-diphenylpropyl)-3-ethylguanidine;hydroiodide
CID 111829178
1-ethyl-3-(3-hydroxy-3-phenylpropyl)-2-[3-(methanesulfonamido)propyl]guanidine;hydroiodide
CID 111664909
1-ethyl-2-[3-(ethylsulfonylamino)propyl]-3-(3-hydroxy-3-phenylpropyl)guanidine;hydroiodide
CID 111665241
2-(3,3-diphenylpropyl)-1-ethyl-3-(2-imidazol-1-ylethyl)guanidine
CID 111233809

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-diphenylpropyl)-1-ethyl-3-(2-sulfamoylethyl)guanidine?
The IUPAC name of 2-(3,3-diphenylpropyl)-1-ethyl-3-(2-sulfamoylethyl)guanidine (CID 111233859) is 2-(3,3-diphenylpropyl)-1-ethyl-3-(2-sulfamoylethyl)guanidine.
What is the SMILES notation for 2-(3,3-diphenylpropyl)-1-ethyl-3-(2-sulfamoylethyl)guanidine?
The canonical SMILES for 2-(3,3-diphenylpropyl)-1-ethyl-3-(2-sulfamoylethyl)guanidine is CCN/C(=N\CCC(c1ccccc1)c1ccccc1)NCCS(N)(=O)=O.
What is the InChIKey of 2-(3,3-diphenylpropyl)-1-ethyl-3-(2-sulfamoylethyl)guanidine?
The InChIKey is TXDUDYFTLWAQGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2S/c1-2-22-20(24-15-16-27(21,25)26)23-14-13-19(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19H,2,13-16H2,1H3,(H2,21,25,26)(H2,22,23,24).
What are the key properties of 2-(3,3-diphenylpropyl)-1-ethyl-3-(2-sulfamoylethyl)guanidine?
2-(3,3-diphenylpropyl)-1-ethyl-3-(2-sulfamoylethyl)guanidine has a molecular weight of 388.54 g/mol, XLogP of 2.05, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-diphenylpropyl)-1-ethyl-3-(2-sulfamoylethyl)guanidine is sourced from PubChem (CID 111233859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).