2-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-1-phenylguanidine

C17H24N4O2S2 — CID 110936922

IUPAC2-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-1-phenylguanidine
SMILESCCN(CC)S(=O)(=O)c1ccc(CC/N=C(\N)Nc2ccccc2)s1
InChIInChI=1S/C17H24N4O2S2/c1-3-21(4-2)25(22,23)16-11-10-15(24-16)12-13-19-17(18)20-14-8-6-5-7-9-14/h5-11H,3-4,12-13H2,1-2H3,(H3,18,19,20)
InChIKeyBSVIIPCMGGIQAS-UHFFFAOYSA-N
MW380.54 g/mol
LogP2.75
Rot. Bonds8

About 2-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-1-phenylguanidine

2-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-1-phenylguanidine (PubChem CID 110936922) has the molecular formula C17H24N4O2S2 and a molecular weight of 380.54 g/mol. Its IUPAC name is 2-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-1-phenylguanidine.

Molecular Properties

Compound Name2-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-1-phenylguanidine
PubChem CID110936922
Molecular FormulaC17H24N4O2S2
Molecular Weight380.54 g/mol
Exact Mass380.13
IUPAC Name2-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-1-phenylguanidine
SMILESCCN(CC)S(=O)(=O)c1ccc(CC/N=C(\N)Nc2ccccc2)s1
InChIInChI=1S/C17H24N4O2S2/c1-3-21(4-2)25(22,23)16-11-10-15(24-16)12-13-19-17(18)20-14-8-6-5-7-9-14/h5-11H,3-4,12-13H2,1-2H3,(H3,18,19,20)
InChIKeyBSVIIPCMGGIQAS-UHFFFAOYSA-N
XLogP2.75
TPSA87.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.54
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-1-phenylguanidine?
The IUPAC name of 2-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-1-phenylguanidine (CID 110936922) is 2-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-1-phenylguanidine.
What is the SMILES notation for 2-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-1-phenylguanidine?
The canonical SMILES for 2-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-1-phenylguanidine is CCN(CC)S(=O)(=O)c1ccc(CC/N=C(\N)Nc2ccccc2)s1.
What is the InChIKey of 2-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-1-phenylguanidine?
The InChIKey is BSVIIPCMGGIQAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2S2/c1-3-21(4-2)25(22,23)16-11-10-15(24-16)12-13-19-17(18)20-14-8-6-5-7-9-14/h5-11H,3-4,12-13H2,1-2H3,(H3,18,19,20).
What are the key properties of 2-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-1-phenylguanidine?
2-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-1-phenylguanidine has a molecular weight of 380.54 g/mol, XLogP of 2.75, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-1-phenylguanidine is sourced from PubChem (CID 110936922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).