1-[2-(benzenesulfonamido)ethyl]-3-ethyl-2-(3-phenylpropyl)guanidine

C20H28N4O2S — CID 111199208

IUPAC1-[2-(benzenesulfonamido)ethyl]-3-ethyl-2-(3-phenylpropyl)guanidine
SMILESCCN/C(=N\CCCc1ccccc1)NCCNS(=O)(=O)c1ccccc1
InChIInChI=1S/C20H28N4O2S/c1-2-21-20(22-15-9-12-18-10-5-3-6-11-18)23-16-17-24-27(25,26)19-13-7-4-8-14-19/h3-8,10-11,13-14,24H,2,9,12,15-17H2,1H3,(H2,21,22,23)
InChIKeyCEAJSBKIKSEDKZ-UHFFFAOYSA-N
MW388.54 g/mol
LogP2.15
Rot. Bonds10

About 1-[2-(benzenesulfonamido)ethyl]-3-ethyl-2-(3-phenylpropyl)guanidine

1-[2-(benzenesulfonamido)ethyl]-3-ethyl-2-(3-phenylpropyl)guanidine (PubChem CID 111199208) has the molecular formula C20H28N4O2S and a molecular weight of 388.54 g/mol. Its IUPAC name is 1-[2-(benzenesulfonamido)ethyl]-3-ethyl-2-(3-phenylpropyl)guanidine.

Molecular Properties

Compound Name1-[2-(benzenesulfonamido)ethyl]-3-ethyl-2-(3-phenylpropyl)guanidine
PubChem CID111199208
Molecular FormulaC20H28N4O2S
Molecular Weight388.54 g/mol
Exact Mass388.19
IUPAC Name1-[2-(benzenesulfonamido)ethyl]-3-ethyl-2-(3-phenylpropyl)guanidine
SMILESCCN/C(=N\CCCc1ccccc1)NCCNS(=O)(=O)c1ccccc1
InChIInChI=1S/C20H28N4O2S/c1-2-21-20(22-15-9-12-18-10-5-3-6-11-18)23-16-17-24-27(25,26)19-13-7-4-8-14-19/h3-8,10-11,13-14,24H,2,9,12,15-17H2,1H3,(H2,21,22,23)
InChIKeyCEAJSBKIKSEDKZ-UHFFFAOYSA-N
XLogP2.15
TPSA82.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.54
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(benzenesulfonamido)ethyl]-3-ethyl-2-(4-methylsulfanylbutyl)guanidine;hydroiodide
CID 111626859
1-[2-(benzenesulfonamido)ethyl]-3-ethyl-2-(3-methylbutyl)guanidine
CID 110977743
2-butyl-1-ethyl-3-[2-[(4-methylphenyl)sulfonylamino]ethyl]guanidine
CID 111150634
1-[2-(benzenesulfonamido)ethyl]-3-ethyl-2-[(2-ethylphenyl)methyl]guanidine
CID 111635344
2-[2-(benzenesulfonamido)ethyl]-1-ethyl-3-[2-(4-methoxyphenyl)ethyl]guanidine;hydroiodide
CID 111169635
1-ethyl-2-[2-(ethylsulfonylamino)ethyl]-3-(2-phenylethyl)guanidine
CID 111134273
1-[2-(benzenesulfonamido)ethyl]-3-ethyl-2-(pyridin-2-ylmethyl)guanidine
CID 110968748
2-[2-(benzenesulfonamido)ethyl]-1-ethyl-3-[2-(furan-2-yl)ethyl]guanidine;hydroiodide
CID 111354375
1-[2-(benzenesulfonamido)ethyl]-3-ethyl-2-[[4-(trifluoromethyl)phenyl]methyl]guanidine;hydroiodide
CID 111420310
1-ethyl-3-(3-methylsulfanylpropyl)-2-(3-phenylpropyl)guanidine;hydroiodide
CID 111769514
1-ethyl-2-[2-[(3-nitrophenyl)sulfonylamino]ethyl]-3-(2-phenylethyl)guanidine;hydroiodide
CID 111134532
N-[4-[2-[[N-ethyl-N'-(3-phenylpropyl)carbamimidoyl]amino]ethyl]phenyl]acetamide;hydroiodide
CID 111199705

Frequently Asked Questions

What is the IUPAC name of 1-[2-(benzenesulfonamido)ethyl]-3-ethyl-2-(3-phenylpropyl)guanidine?
The IUPAC name of 1-[2-(benzenesulfonamido)ethyl]-3-ethyl-2-(3-phenylpropyl)guanidine (CID 111199208) is 1-[2-(benzenesulfonamido)ethyl]-3-ethyl-2-(3-phenylpropyl)guanidine.
What is the SMILES notation for 1-[2-(benzenesulfonamido)ethyl]-3-ethyl-2-(3-phenylpropyl)guanidine?
The canonical SMILES for 1-[2-(benzenesulfonamido)ethyl]-3-ethyl-2-(3-phenylpropyl)guanidine is CCN/C(=N\CCCc1ccccc1)NCCNS(=O)(=O)c1ccccc1.
What is the InChIKey of 1-[2-(benzenesulfonamido)ethyl]-3-ethyl-2-(3-phenylpropyl)guanidine?
The InChIKey is CEAJSBKIKSEDKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2S/c1-2-21-20(22-15-9-12-18-10-5-3-6-11-18)23-16-17-24-27(25,26)19-13-7-4-8-14-19/h3-8,10-11,13-14,24H,2,9,12,15-17H2,1H3,(H2,21,22,23).
What are the key properties of 1-[2-(benzenesulfonamido)ethyl]-3-ethyl-2-(3-phenylpropyl)guanidine?
1-[2-(benzenesulfonamido)ethyl]-3-ethyl-2-(3-phenylpropyl)guanidine has a molecular weight of 388.54 g/mol, XLogP of 2.15, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(benzenesulfonamido)ethyl]-3-ethyl-2-(3-phenylpropyl)guanidine is sourced from PubChem (CID 111199208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).