2-[2-(diethylsulfamoyl)ethyl]-1-ethyl-3-(4-phenylbutan-2-yl)guanidine

C19H34N4O2S — CID 111761605

IUPAC2-[2-(diethylsulfamoyl)ethyl]-1-ethyl-3-(4-phenylbutan-2-yl)guanidine
SMILESCCN/C(=N\CCS(=O)(=O)N(CC)CC)NC(C)CCc1ccccc1
InChIInChI=1S/C19H34N4O2S/c1-5-20-19(21-15-16-26(24,25)23(6-2)7-3)22-17(4)13-14-18-11-9-8-10-12-18/h8-12,17H,5-7,13-16H2,1-4H3,(H2,20,21,22)
InChIKeyWFDBPLWKSSPIFW-UHFFFAOYSA-N
MW382.57 g/mol
LogP2.23
Rot. Bonds11

About 2-[2-(diethylsulfamoyl)ethyl]-1-ethyl-3-(4-phenylbutan-2-yl)guanidine

2-[2-(diethylsulfamoyl)ethyl]-1-ethyl-3-(4-phenylbutan-2-yl)guanidine (PubChem CID 111761605) has the molecular formula C19H34N4O2S and a molecular weight of 382.57 g/mol. Its IUPAC name is 2-[2-(diethylsulfamoyl)ethyl]-1-ethyl-3-(4-phenylbutan-2-yl)guanidine.

Molecular Properties

Compound Name2-[2-(diethylsulfamoyl)ethyl]-1-ethyl-3-(4-phenylbutan-2-yl)guanidine
PubChem CID111761605
Molecular FormulaC19H34N4O2S
Molecular Weight382.57 g/mol
Exact Mass382.24
IUPAC Name2-[2-(diethylsulfamoyl)ethyl]-1-ethyl-3-(4-phenylbutan-2-yl)guanidine
SMILESCCN/C(=N\CCS(=O)(=O)N(CC)CC)NC(C)CCc1ccccc1
InChIInChI=1S/C19H34N4O2S/c1-5-20-19(21-15-16-26(24,25)23(6-2)7-3)22-17(4)13-14-18-11-9-8-10-12-18/h8-12,17H,5-7,13-16H2,1-4H3,(H2,20,21,22)
InChIKeyWFDBPLWKSSPIFW-UHFFFAOYSA-N
XLogP2.23
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.57
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[2-(diethylsulfamoyl)ethyl]-1-ethyl-3-(4-phenylbutan-2-yl)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-ethyl-2-(2-ethylsulfonylethyl)-3-(4-phenylbutan-2-yl)guanidine
CID 111171873
1-ethyl-2-[3-[ethyl(methylsulfonyl)amino]propyl]-3-(4-phenylbutan-2-yl)guanidine
CID 111172555
1-ethyl-2-[2-[ethyl(methyl)amino]ethyl]-3-(4-phenylbutan-2-yl)guanidine;hydroiodide
CID 111172208
1-[1-(2-chlorophenyl)ethyl]-2-[2-(diethylsulfamoyl)ethyl]-3-ethylguanidine
CID 111980895
1-[5-(diethylamino)pentan-2-yl]-2-[2-(diethylsulfamoyl)ethyl]-3-ethylguanidine
CID 111759731
1-[5-(diethylamino)pentan-2-yl]-2-[2-(diethylsulfamoyl)ethyl]-3-ethylguanidine;hydroiodide
CID 111759730
2-(2,2-dimethyl-4-methylsulfonylbutyl)-1-ethyl-3-(4-phenylbutan-2-yl)guanidine
CID 111772740
2-(2,2-dimethyl-4-methylsulfonylbutyl)-1-ethyl-3-(4-phenylbutan-2-yl)guanidine;hydroiodide
CID 111772739
2-(3-ethoxypropyl)-1-ethyl-3-(4-phenylbutan-2-yl)guanidine;hydroiodide
CID 111172620
1-ethyl-2-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-3-(4-phenylbutan-2-yl)guanidine
CID 111511459
1-ethyl-2-(3-oxo-3-pyrrolidin-1-ylpropyl)-3-(4-phenylbutan-2-yl)guanidine
CID 111172137
2-[2-(benzenesulfonyl)ethyl]-1-ethyl-3-(5-methylhexan-2-yl)guanidine;hydroiodide
CID 111204507

Frequently Asked Questions

What is the IUPAC name of 2-[2-(diethylsulfamoyl)ethyl]-1-ethyl-3-(4-phenylbutan-2-yl)guanidine?
The IUPAC name of 2-[2-(diethylsulfamoyl)ethyl]-1-ethyl-3-(4-phenylbutan-2-yl)guanidine (CID 111761605) is 2-[2-(diethylsulfamoyl)ethyl]-1-ethyl-3-(4-phenylbutan-2-yl)guanidine.
What is the SMILES notation for 2-[2-(diethylsulfamoyl)ethyl]-1-ethyl-3-(4-phenylbutan-2-yl)guanidine?
The canonical SMILES for 2-[2-(diethylsulfamoyl)ethyl]-1-ethyl-3-(4-phenylbutan-2-yl)guanidine is CCN/C(=N\CCS(=O)(=O)N(CC)CC)NC(C)CCc1ccccc1.
What is the InChIKey of 2-[2-(diethylsulfamoyl)ethyl]-1-ethyl-3-(4-phenylbutan-2-yl)guanidine?
The InChIKey is WFDBPLWKSSPIFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N4O2S/c1-5-20-19(21-15-16-26(24,25)23(6-2)7-3)22-17(4)13-14-18-11-9-8-10-12-18/h8-12,17H,5-7,13-16H2,1-4H3,(H2,20,21,22).
What are the key properties of 2-[2-(diethylsulfamoyl)ethyl]-1-ethyl-3-(4-phenylbutan-2-yl)guanidine?
2-[2-(diethylsulfamoyl)ethyl]-1-ethyl-3-(4-phenylbutan-2-yl)guanidine has a molecular weight of 382.57 g/mol, XLogP of 2.23, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diethylsulfamoyl)ethyl]-1-ethyl-3-(4-phenylbutan-2-yl)guanidine is sourced from PubChem (CID 111761605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).