1-[1-(2-chlorophenyl)ethyl]-2-[2-(diethylsulfamoyl)ethyl]-3-ethylguanidine

C17H29ClN4O2S — CID 111980895

IUPAC1-[1-(2-chlorophenyl)ethyl]-2-[2-(diethylsulfamoyl)ethyl]-3-ethylguanidine
SMILESCCN/C(=N\CCS(=O)(=O)N(CC)CC)NC(C)c1ccccc1Cl
InChIInChI=1S/C17H29ClN4O2S/c1-5-19-17(20-12-13-25(23,24)22(6-2)7-3)21-14(4)15-10-8-9-11-16(15)18/h8-11,14H,5-7,12-13H2,1-4H3,(H2,19,20,21)
InChIKeyCEEKCNXRJABXCT-UHFFFAOYSA-N
MW388.97 g/mol
LogP2.63
Rot. Bonds9

About 1-[1-(2-chlorophenyl)ethyl]-2-[2-(diethylsulfamoyl)ethyl]-3-ethylguanidine

1-[1-(2-chlorophenyl)ethyl]-2-[2-(diethylsulfamoyl)ethyl]-3-ethylguanidine (PubChem CID 111980895) has the molecular formula C17H29ClN4O2S and a molecular weight of 388.97 g/mol. Its IUPAC name is 1-[1-(2-chlorophenyl)ethyl]-2-[2-(diethylsulfamoyl)ethyl]-3-ethylguanidine.

Molecular Properties

Compound Name1-[1-(2-chlorophenyl)ethyl]-2-[2-(diethylsulfamoyl)ethyl]-3-ethylguanidine
PubChem CID111980895
Molecular FormulaC17H29ClN4O2S
Molecular Weight388.97 g/mol
Exact Mass388.17
IUPAC Name1-[1-(2-chlorophenyl)ethyl]-2-[2-(diethylsulfamoyl)ethyl]-3-ethylguanidine
SMILESCCN/C(=N\CCS(=O)(=O)N(CC)CC)NC(C)c1ccccc1Cl
InChIInChI=1S/C17H29ClN4O2S/c1-5-19-17(20-12-13-25(23,24)22(6-2)7-3)21-14(4)15-10-8-9-11-16(15)18/h8-11,14H,5-7,12-13H2,1-4H3,(H2,19,20,21)
InChIKeyCEEKCNXRJABXCT-UHFFFAOYSA-N
XLogP2.63
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.97
LogP ≤ 52.63
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

2-[2-(diethylsulfamoyl)ethyl]-1-[1-(2,4-difluorophenyl)ethyl]-3-ethylguanidine
CID 111981181
1-[1-(2-chlorophenyl)ethyl]-3-ethyl-2-[2-(methanesulfonamido)ethyl]guanidine;hydroiodide
CID 111319541
2-[2-(diethylsulfamoyl)ethyl]-1-ethyl-3-(4-phenylbutan-2-yl)guanidine
CID 111761605
1-[1-(2-chlorophenyl)ethyl]-3-ethyl-2-[4-(1,2,4-triazol-4-yl)butyl]guanidine;hydroiodide
CID 111515382
1-[1-(2-chlorophenyl)ethyl]-2-[2-(2,6-dioxopiperidin-1-yl)ethyl]-3-ethylguanidine;hydroiodide
CID 111500928
2-[[[1-(2-chlorophenyl)ethylamino]-(ethylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide
CID 111319516
1-amino-3-[1-(2-chlorophenyl)ethyl]-2-propylguanidine
CID 116514362
1-[1-(2,4-dichlorophenyl)ethyl]-3-ethyl-2-[2-(methanesulfonamido)ethyl]guanidine;hydroiodide
CID 111310731
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
1-[1-(2-bromophenyl)ethyl]-3-ethyl-2-[2-(methanesulfonamido)ethyl]guanidine;hydroiodide
CID 111322221
1-(1-benzylpiperidin-4-yl)-2-[2-(diethylsulfamoyl)ethyl]-3-ethylguanidine;hydroiodide
CID 111548912

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-chlorophenyl)ethyl]-2-[2-(diethylsulfamoyl)ethyl]-3-ethylguanidine?
The IUPAC name of 1-[1-(2-chlorophenyl)ethyl]-2-[2-(diethylsulfamoyl)ethyl]-3-ethylguanidine (CID 111980895) is 1-[1-(2-chlorophenyl)ethyl]-2-[2-(diethylsulfamoyl)ethyl]-3-ethylguanidine.
What is the SMILES notation for 1-[1-(2-chlorophenyl)ethyl]-2-[2-(diethylsulfamoyl)ethyl]-3-ethylguanidine?
The canonical SMILES for 1-[1-(2-chlorophenyl)ethyl]-2-[2-(diethylsulfamoyl)ethyl]-3-ethylguanidine is CCN/C(=N\CCS(=O)(=O)N(CC)CC)NC(C)c1ccccc1Cl.
What is the InChIKey of 1-[1-(2-chlorophenyl)ethyl]-2-[2-(diethylsulfamoyl)ethyl]-3-ethylguanidine?
The InChIKey is CEEKCNXRJABXCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29ClN4O2S/c1-5-19-17(20-12-13-25(23,24)22(6-2)7-3)21-14(4)15-10-8-9-11-16(15)18/h8-11,14H,5-7,12-13H2,1-4H3,(H2,19,20,21).
What are the key properties of 1-[1-(2-chlorophenyl)ethyl]-2-[2-(diethylsulfamoyl)ethyl]-3-ethylguanidine?
1-[1-(2-chlorophenyl)ethyl]-2-[2-(diethylsulfamoyl)ethyl]-3-ethylguanidine has a molecular weight of 388.97 g/mol, XLogP of 2.63, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-chlorophenyl)ethyl]-2-[2-(diethylsulfamoyl)ethyl]-3-ethylguanidine is sourced from PubChem (CID 111980895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).