2-[2-(diethylsulfamoyl)ethyl]-1-[1-(2,4-difluorophenyl)ethyl]-3-ethylguanidine

C17H28F2N4O2S — CID 111981181

IUPAC2-[2-(diethylsulfamoyl)ethyl]-1-[1-(2,4-difluorophenyl)ethyl]-3-ethylguanidine
SMILESCCN/C(=N\CCS(=O)(=O)N(CC)CC)NC(C)c1ccc(F)cc1F
InChIInChI=1S/C17H28F2N4O2S/c1-5-20-17(21-10-11-26(24,25)23(6-2)7-3)22-13(4)15-9-8-14(18)12-16(15)19/h8-9,12-13H,5-7,10-11H2,1-4H3,(H2,20,21,22)
InChIKeyQLVZAUJHDNCVOH-UHFFFAOYSA-N
MW390.50 g/mol
LogP2.25
Rot. Bonds9

About 2-[2-(diethylsulfamoyl)ethyl]-1-[1-(2,4-difluorophenyl)ethyl]-3-ethylguanidine

2-[2-(diethylsulfamoyl)ethyl]-1-[1-(2,4-difluorophenyl)ethyl]-3-ethylguanidine (PubChem CID 111981181) has the molecular formula C17H28F2N4O2S and a molecular weight of 390.50 g/mol. Its IUPAC name is 2-[2-(diethylsulfamoyl)ethyl]-1-[1-(2,4-difluorophenyl)ethyl]-3-ethylguanidine.

Molecular Properties

Compound Name2-[2-(diethylsulfamoyl)ethyl]-1-[1-(2,4-difluorophenyl)ethyl]-3-ethylguanidine
PubChem CID111981181
Molecular FormulaC17H28F2N4O2S
Molecular Weight390.50 g/mol
Exact Mass390.19
IUPAC Name2-[2-(diethylsulfamoyl)ethyl]-1-[1-(2,4-difluorophenyl)ethyl]-3-ethylguanidine
SMILESCCN/C(=N\CCS(=O)(=O)N(CC)CC)NC(C)c1ccc(F)cc1F
InChIInChI=1S/C17H28F2N4O2S/c1-5-20-17(21-10-11-26(24,25)23(6-2)7-3)22-13(4)15-9-8-14(18)12-16(15)19/h8-9,12-13H,5-7,10-11H2,1-4H3,(H2,20,21,22)
InChIKeyQLVZAUJHDNCVOH-UHFFFAOYSA-N
XLogP2.25
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.50
LogP ≤ 52.25
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'}

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Related Compounds

1-[1-(2-chlorophenyl)ethyl]-2-[2-(diethylsulfamoyl)ethyl]-3-ethylguanidine
CID 111980895
1-[2-(diethylsulfamoyl)ethyl]-3-[1-(2,4-difluorophenyl)ethyl]-2-methylguanidine;hydroiodide
CID 111981178
1-[1-(2,4-difluorophenyl)ethyl]-3-ethyl-2-[2-(2-fluorophenyl)-2-hydroxyethyl]guanidine
CID 111323674
2-[2-(diethylsulfamoyl)ethyl]-1-ethyl-3-(4-phenylbutan-2-yl)guanidine
CID 111761605
1-[1-(2,4-difluorophenyl)ethyl]-3-ethyl-2-[(3-nitrophenyl)methyl]guanidine
CID 111323762
1-[1-(2,4-difluorophenyl)ethyl]-3-ethyl-2-[(5-methyl-1,3-thiazol-2-yl)methyl]guanidine;hydroiodide
CID 111515946
1-[5-(diethylamino)pentan-2-yl]-2-[2-(diethylsulfamoyl)ethyl]-3-ethylguanidine
CID 111759731
1-[1-(2,4-difluorophenyl)ethyl]-2-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-3-ethylguanidine;hydroiodide
CID 111981176
1-[5-(diethylamino)pentan-2-yl]-2-[2-(diethylsulfamoyl)ethyl]-3-ethylguanidine;hydroiodide
CID 111759730
N-(diethylsulfamoyl)-2-(2,4-difluorophenyl)propanamide
CID 75375028
1-[1-(2,4-dichlorophenyl)ethyl]-3-ethyl-2-[2-(methanesulfonamido)ethyl]guanidine;hydroiodide
CID 111310731
(2S)-2-amino-N-[1-(2,4-difluorophenyl)ethyl]butanamide;hydrochloride
CID 119269517

Frequently Asked Questions

What is the IUPAC name of 2-[2-(diethylsulfamoyl)ethyl]-1-[1-(2,4-difluorophenyl)ethyl]-3-ethylguanidine?
The IUPAC name of 2-[2-(diethylsulfamoyl)ethyl]-1-[1-(2,4-difluorophenyl)ethyl]-3-ethylguanidine (CID 111981181) is 2-[2-(diethylsulfamoyl)ethyl]-1-[1-(2,4-difluorophenyl)ethyl]-3-ethylguanidine.
What is the SMILES notation for 2-[2-(diethylsulfamoyl)ethyl]-1-[1-(2,4-difluorophenyl)ethyl]-3-ethylguanidine?
The canonical SMILES for 2-[2-(diethylsulfamoyl)ethyl]-1-[1-(2,4-difluorophenyl)ethyl]-3-ethylguanidine is CCN/C(=N\CCS(=O)(=O)N(CC)CC)NC(C)c1ccc(F)cc1F.
What is the InChIKey of 2-[2-(diethylsulfamoyl)ethyl]-1-[1-(2,4-difluorophenyl)ethyl]-3-ethylguanidine?
The InChIKey is QLVZAUJHDNCVOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28F2N4O2S/c1-5-20-17(21-10-11-26(24,25)23(6-2)7-3)22-13(4)15-9-8-14(18)12-16(15)19/h8-9,12-13H,5-7,10-11H2,1-4H3,(H2,20,21,22).
What are the key properties of 2-[2-(diethylsulfamoyl)ethyl]-1-[1-(2,4-difluorophenyl)ethyl]-3-ethylguanidine?
2-[2-(diethylsulfamoyl)ethyl]-1-[1-(2,4-difluorophenyl)ethyl]-3-ethylguanidine has a molecular weight of 390.50 g/mol, XLogP of 2.25, 9 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-[1-(2,4-difluorophenyl)ethyl]-3-ethylguanidine is sourced from PubChem (CID 111981181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).