1-(3,3-diphenylpropyl)-3-ethyl-2-[3-(methanesulfonamido)propyl]guanidine

C22H32N4O2S — CID 111233665

IUPAC1-(3,3-diphenylpropyl)-3-ethyl-2-[3-(methanesulfonamido)propyl]guanidine
SMILESCCN/C(=N\CCCNS(C)(=O)=O)NCCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H32N4O2S/c1-3-23-22(24-16-10-17-26-29(2,27)28)25-18-15-21(19-11-6-4-7-12-19)20-13-8-5-9-14-20/h4-9,11-14,21,26H,3,10,15-18H2,1-2H3,(H2,23,24,25)
InChIKeyAOCURRFWRBVKKI-UHFFFAOYSA-N
MW416.59 g/mol
LogP2.70
Rot. Bonds11

About 1-(3,3-diphenylpropyl)-3-ethyl-2-[3-(methanesulfonamido)propyl]guanidine

1-(3,3-diphenylpropyl)-3-ethyl-2-[3-(methanesulfonamido)propyl]guanidine (PubChem CID 111233665) has the molecular formula C22H32N4O2S and a molecular weight of 416.59 g/mol. Its IUPAC name is 1-(3,3-diphenylpropyl)-3-ethyl-2-[3-(methanesulfonamido)propyl]guanidine.

Molecular Properties

Compound Name1-(3,3-diphenylpropyl)-3-ethyl-2-[3-(methanesulfonamido)propyl]guanidine
PubChem CID111233665
Molecular FormulaC22H32N4O2S
Molecular Weight416.59 g/mol
Exact Mass416.22
IUPAC Name1-(3,3-diphenylpropyl)-3-ethyl-2-[3-(methanesulfonamido)propyl]guanidine
SMILESCCN/C(=N\CCCNS(C)(=O)=O)NCCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H32N4O2S/c1-3-23-22(24-16-10-17-26-29(2,27)28)25-18-15-21(19-11-6-4-7-12-19)20-13-8-5-9-14-20/h4-9,11-14,21,26H,3,10,15-18H2,1-2H3,(H2,23,24,25)
InChIKeyAOCURRFWRBVKKI-UHFFFAOYSA-N
XLogP2.70
TPSA82.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.59
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-ethyl-3-(3-hydroxy-3-phenylpropyl)-2-[3-(methanesulfonamido)propyl]guanidine;hydroiodide
CID 111664909
1-ethyl-2-[3-(methanesulfonamido)propyl]-3-(2-phenylsulfanylethyl)guanidine;hydroiodide
CID 111372486
1-ethyl-2-[3-(ethylsulfonylamino)propyl]-3-(3-hydroxy-3-phenylpropyl)guanidine;hydroiodide
CID 111665241
1-ethyl-2-(3-hydroxy-3-phenylpropyl)-3-[2-(methanesulfonamido)ethyl]guanidine;hydroiodide
CID 111665389
2-(2,2-diphenylethyl)-1-ethyl-3-[2-(methanesulfonamido)ethyl]guanidine;hydroiodide
CID 111356789
2-(3,3-diphenylpropyl)-1-ethyl-3-(2-methylsulfonylethyl)guanidine;hydroiodide
CID 111233604
1-ethyl-3-[3-(methanesulfonamido)propyl]-2-(3-phenoxypropyl)guanidine
CID 111417447
2-(3,3-diphenylpropyl)-1-ethyl-3-(2-sulfamoylethyl)guanidine
CID 111233859
1-ethyl-2-[3-(methanesulfonamido)propyl]-3-(2-pyridin-2-ylethyl)guanidine
CID 111192314
1-(3,3-diphenylpropyl)-3-ethyl-2-[4-(1,2,4-triazol-4-yl)butyl]guanidine
CID 111513002
1-ethyl-2-[3-(methanesulfonamido)propyl]-3-(2-methylsulfanylethyl)guanidine
CID 111343741
1-(3-ethoxy-4-methylpentyl)-3-ethyl-2-[3-(methanesulfonamido)propyl]guanidine
CID 111717090

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-diphenylpropyl)-3-ethyl-2-[3-(methanesulfonamido)propyl]guanidine?
The IUPAC name of 1-(3,3-diphenylpropyl)-3-ethyl-2-[3-(methanesulfonamido)propyl]guanidine (CID 111233665) is 1-(3,3-diphenylpropyl)-3-ethyl-2-[3-(methanesulfonamido)propyl]guanidine.
What is the SMILES notation for 1-(3,3-diphenylpropyl)-3-ethyl-2-[3-(methanesulfonamido)propyl]guanidine?
The canonical SMILES for 1-(3,3-diphenylpropyl)-3-ethyl-2-[3-(methanesulfonamido)propyl]guanidine is CCN/C(=N\CCCNS(C)(=O)=O)NCCC(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-(3,3-diphenylpropyl)-3-ethyl-2-[3-(methanesulfonamido)propyl]guanidine?
The InChIKey is AOCURRFWRBVKKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O2S/c1-3-23-22(24-16-10-17-26-29(2,27)28)25-18-15-21(19-11-6-4-7-12-19)20-13-8-5-9-14-20/h4-9,11-14,21,26H,3,10,15-18H2,1-2H3,(H2,23,24,25).
What are the key properties of 1-(3,3-diphenylpropyl)-3-ethyl-2-[3-(methanesulfonamido)propyl]guanidine?
1-(3,3-diphenylpropyl)-3-ethyl-2-[3-(methanesulfonamido)propyl]guanidine has a molecular weight of 416.59 g/mol, XLogP of 2.70, 11 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-diphenylpropyl)-3-ethyl-2-[3-(methanesulfonamido)propyl]guanidine is sourced from PubChem (CID 111233665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).