2-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-1-ethyl-3-(1-phenylethyl)guanidine

C21H28N4O2S — CID 110948202

IUPAC2-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-1-ethyl-3-(1-phenylethyl)guanidine
SMILESCCN/C(=N\CCS(=O)(=O)N1CCc2ccccc21)NC(C)c1ccccc1
InChIInChI=1S/C21H28N4O2S/c1-3-22-21(24-17(2)18-9-5-4-6-10-18)23-14-16-28(26,27)25-15-13-19-11-7-8-12-20(19)25/h4-12,17H,3,13-16H2,1-2H3,(H2,22,23,24)
InChIKeyGCUWYRZNBIQMDY-UHFFFAOYSA-N
MW400.55 g/mol
LogP2.70
Rot. Bonds7

About 2-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-1-ethyl-3-(1-phenylethyl)guanidine

2-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-1-ethyl-3-(1-phenylethyl)guanidine (PubChem CID 110948202) has the molecular formula C21H28N4O2S and a molecular weight of 400.55 g/mol. Its IUPAC name is 2-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-1-ethyl-3-(1-phenylethyl)guanidine.

Molecular Properties

Compound Name2-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-1-ethyl-3-(1-phenylethyl)guanidine
PubChem CID110948202
Molecular FormulaC21H28N4O2S
Molecular Weight400.55 g/mol
Exact Mass400.19
IUPAC Name2-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-1-ethyl-3-(1-phenylethyl)guanidine
SMILESCCN/C(=N\CCS(=O)(=O)N1CCc2ccccc21)NC(C)c1ccccc1
InChIInChI=1S/C21H28N4O2S/c1-3-22-21(24-17(2)18-9-5-4-6-10-18)23-14-16-28(26,27)25-15-13-19-11-7-8-12-20(19)25/h4-12,17H,3,13-16H2,1-2H3,(H2,22,23,24)
InChIKeyGCUWYRZNBIQMDY-UHFFFAOYSA-N
XLogP2.70
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.55
LogP ≤ 52.70
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-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-1-ethyl-3-(1-phenylethyl)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-cyclohexyl-2-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-3-ethylguanidine
CID 110957330
3-(2,3-dihydroindol-1-ylsulfonyl)-N-(1-phenylethyl)propanamide
CID 110343046
1-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-3-ethyl-2-propylguanidine;hydroiodide
CID 111226329
1-(1-cyclopentylpyrrolidin-3-yl)-2-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-3-ethylguanidine;hydroiodide
CID 111918978
2-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-1-ethyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine;hydroiodide
CID 111932670
2-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-1-(6-methylheptan-2-yl)guanidine;hydroiodide
CID 111083238
2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-3-ethylguanidine
CID 111949265
1-ethyl-2-[2-(4-ethylpiperazin-1-yl)ethyl]-3-(1-phenylethyl)guanidine;hydroiodide
CID 110948169
2-[2-(4-acetylpiperazin-1-yl)ethyl]-1-ethyl-3-(1-phenylethyl)guanidine
CID 110948176
1-ethyl-2-[3-(2-oxopyrrolidin-1-yl)propyl]-3-(1-phenylethyl)guanidine;hydroiodide
CID 110948955
2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-3-ethylguanidine;hydroiodide
CID 111949264
1-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-3-ethyl-2-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 110968255

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-1-ethyl-3-(1-phenylethyl)guanidine?
The IUPAC name of 2-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-1-ethyl-3-(1-phenylethyl)guanidine (CID 110948202) is 2-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-1-ethyl-3-(1-phenylethyl)guanidine.
What is the SMILES notation for 2-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-1-ethyl-3-(1-phenylethyl)guanidine?
The canonical SMILES for 2-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-1-ethyl-3-(1-phenylethyl)guanidine is CCN/C(=N\CCS(=O)(=O)N1CCc2ccccc21)NC(C)c1ccccc1.
What is the InChIKey of 2-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-1-ethyl-3-(1-phenylethyl)guanidine?
The InChIKey is GCUWYRZNBIQMDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2S/c1-3-22-21(24-17(2)18-9-5-4-6-10-18)23-14-16-28(26,27)25-15-13-19-11-7-8-12-20(19)25/h4-12,17H,3,13-16H2,1-2H3,(H2,22,23,24).
What are the key properties of 2-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-1-ethyl-3-(1-phenylethyl)guanidine?
2-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-1-ethyl-3-(1-phenylethyl)guanidine has a molecular weight of 400.55 g/mol, XLogP of 2.70, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-1-ethyl-3-(1-phenylethyl)guanidine is sourced from PubChem (CID 110948202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).