1-ethyl-2-[2-(4-ethylphenyl)-2-methylpropyl]-3-[2-(ethylsulfonylamino)ethyl]guanidine

C19H34N4O2S — CID 109464742

IUPAC1-ethyl-2-[2-(4-ethylphenyl)-2-methylpropyl]-3-[2-(ethylsulfonylamino)ethyl]guanidine
SMILESCCN/C(=N\CC(C)(C)c1ccc(CC)cc1)NCCNS(=O)(=O)CC
InChIInChI=1S/C19H34N4O2S/c1-6-16-9-11-17(12-10-16)19(4,5)15-22-18(20-7-2)21-13-14-23-26(24,25)8-3/h9-12,23H,6-8,13-15H2,1-5H3,(H2,20,21,22)
InChIKeySLQUDUYRQNWOFA-UHFFFAOYSA-N
MW382.57 g/mol
LogP2.02
Rot. Bonds10

About 1-ethyl-2-[2-(4-ethylphenyl)-2-methylpropyl]-3-[2-(ethylsulfonylamino)ethyl]guanidine

1-ethyl-2-[2-(4-ethylphenyl)-2-methylpropyl]-3-[2-(ethylsulfonylamino)ethyl]guanidine (PubChem CID 109464742) has the molecular formula C19H34N4O2S and a molecular weight of 382.57 g/mol. Its IUPAC name is 1-ethyl-2-[2-(4-ethylphenyl)-2-methylpropyl]-3-[2-(ethylsulfonylamino)ethyl]guanidine.

Molecular Properties

Compound Name1-ethyl-2-[2-(4-ethylphenyl)-2-methylpropyl]-3-[2-(ethylsulfonylamino)ethyl]guanidine
PubChem CID109464742
Molecular FormulaC19H34N4O2S
Molecular Weight382.57 g/mol
Exact Mass382.24
IUPAC Name1-ethyl-2-[2-(4-ethylphenyl)-2-methylpropyl]-3-[2-(ethylsulfonylamino)ethyl]guanidine
SMILESCCN/C(=N\CC(C)(C)c1ccc(CC)cc1)NCCNS(=O)(=O)CC
InChIInChI=1S/C19H34N4O2S/c1-6-16-9-11-17(12-10-16)19(4,5)15-22-18(20-7-2)21-13-14-23-26(24,25)8-3/h9-12,23H,6-8,13-15H2,1-5H3,(H2,20,21,22)
InChIKeySLQUDUYRQNWOFA-UHFFFAOYSA-N
XLogP2.02
TPSA82.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.57
LogP ≤ 52.02
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-ethyl-3-[2-(methanesulfonamido)ethyl]-2-(2-methyl-2-phenylpropyl)guanidine;hydroiodide
CID 111948730
1-ethyl-2-[2-(4-ethylphenyl)-2-methylpropyl]-3-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]guanidine;hydroiodide
CID 109465267
1-ethyl-2-[2-(4-ethylphenyl)-2-methylpropyl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]guanidine
CID 109464972
1-ethyl-2-[2-(4-ethylphenyl)-2-methylpropyl]-3-[4-(4-methylpiperazin-1-yl)butyl]guanidine
CID 109465116
1-ethyl-2-[2-(ethylsulfonylamino)ethyl]-3-[2-[4-(trifluoromethyl)phenyl]ethyl]guanidine
CID 111295621
1-ethyl-2-(2-methyl-2-phenylpropyl)-3-[2-(4-methylsulfonylphenyl)ethyl]guanidine;hydroiodide
CID 111614422
2-(2,2-dimethyl-4-methylsulfonylbutyl)-1-ethyl-3-[2-(4-ethylphenyl)-2-methylpropyl]guanidine;hydroiodide
CID 109465001
1-[(1,1-dioxothiolan-3-yl)methyl]-3-ethyl-2-[2-(4-ethylphenyl)-2-methylpropyl]guanidine;hydroiodide
CID 109464809
1-ethyl-2-(2-methyl-2-phenylpropyl)-3-propylguanidine;hydroiodide
CID 111225902
1-ethyl-2-[2-(4-ethylphenyl)-2-methylpropyl]-3-[(3-hydroxythiolan-3-yl)methyl]guanidine
CID 109464860
2-[(2,4-dimethylphenyl)methyl]-1-ethyl-3-[2-(ethylsulfonylamino)ethyl]guanidine;hydroiodide
CID 111937778
N-[2-[[N-ethyl-N'-(2-methyl-2-phenylpropyl)carbamimidoyl]amino]ethyl]furan-2-carboxamide;hydroiodide
CID 111948380

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[2-(4-ethylphenyl)-2-methylpropyl]-3-[2-(ethylsulfonylamino)ethyl]guanidine?
The IUPAC name of 1-ethyl-2-[2-(4-ethylphenyl)-2-methylpropyl]-3-[2-(ethylsulfonylamino)ethyl]guanidine (CID 109464742) is 1-ethyl-2-[2-(4-ethylphenyl)-2-methylpropyl]-3-[2-(ethylsulfonylamino)ethyl]guanidine.
What is the SMILES notation for 1-ethyl-2-[2-(4-ethylphenyl)-2-methylpropyl]-3-[2-(ethylsulfonylamino)ethyl]guanidine?
The canonical SMILES for 1-ethyl-2-[2-(4-ethylphenyl)-2-methylpropyl]-3-[2-(ethylsulfonylamino)ethyl]guanidine is CCN/C(=N\CC(C)(C)c1ccc(CC)cc1)NCCNS(=O)(=O)CC.
What is the InChIKey of 1-ethyl-2-[2-(4-ethylphenyl)-2-methylpropyl]-3-[2-(ethylsulfonylamino)ethyl]guanidine?
The InChIKey is SLQUDUYRQNWOFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N4O2S/c1-6-16-9-11-17(12-10-16)19(4,5)15-22-18(20-7-2)21-13-14-23-26(24,25)8-3/h9-12,23H,6-8,13-15H2,1-5H3,(H2,20,21,22).
What are the key properties of 1-ethyl-2-[2-(4-ethylphenyl)-2-methylpropyl]-3-[2-(ethylsulfonylamino)ethyl]guanidine?
1-ethyl-2-[2-(4-ethylphenyl)-2-methylpropyl]-3-[2-(ethylsulfonylamino)ethyl]guanidine has a molecular weight of 382.57 g/mol, XLogP of 2.02, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[2-(4-ethylphenyl)-2-methylpropyl]-3-[2-(ethylsulfonylamino)ethyl]guanidine is sourced from PubChem (CID 109464742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).