2-[[3-(2-methoxyethylsulfamoyl)phenyl]methyl]-1-(4-methoxyphenyl)guanidine

C18H24N4O4S — CID 111811710

IUPAC2-[[3-(2-methoxyethylsulfamoyl)phenyl]methyl]-1-(4-methoxyphenyl)guanidine
SMILESCOCCNS(=O)(=O)c1cccc(C/N=C(\N)Nc2ccc(OC)cc2)c1
InChIInChI=1S/C18H24N4O4S/c1-25-11-10-21-27(23,24)17-5-3-4-14(12-17)13-20-18(19)22-15-6-8-16(26-2)9-7-15/h3-9,12,21H,10-11,13H2,1-2H3,(H3,19,20,22)
InChIKeyGLNFKTAHTOTMSP-UHFFFAOYSA-N
MW392.48 g/mol
LogP1.55
Rot. Bonds9

About 2-[[3-(2-methoxyethylsulfamoyl)phenyl]methyl]-1-(4-methoxyphenyl)guanidine

2-[[3-(2-methoxyethylsulfamoyl)phenyl]methyl]-1-(4-methoxyphenyl)guanidine (PubChem CID 111811710) has the molecular formula C18H24N4O4S and a molecular weight of 392.48 g/mol. Its IUPAC name is 2-[[3-(2-methoxyethylsulfamoyl)phenyl]methyl]-1-(4-methoxyphenyl)guanidine.

Molecular Properties

Compound Name2-[[3-(2-methoxyethylsulfamoyl)phenyl]methyl]-1-(4-methoxyphenyl)guanidine
PubChem CID111811710
Molecular FormulaC18H24N4O4S
Molecular Weight392.48 g/mol
Exact Mass392.15
IUPAC Name2-[[3-(2-methoxyethylsulfamoyl)phenyl]methyl]-1-(4-methoxyphenyl)guanidine
SMILESCOCCNS(=O)(=O)c1cccc(C/N=C(\N)Nc2ccc(OC)cc2)c1
InChIInChI=1S/C18H24N4O4S/c1-25-11-10-21-27(23,24)17-5-3-4-14(12-17)13-20-18(19)22-15-6-8-16(26-2)9-7-15/h3-9,12,21H,10-11,13H2,1-2H3,(H3,19,20,22)
InChIKeyGLNFKTAHTOTMSP-UHFFFAOYSA-N
XLogP1.55
TPSA115.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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'}

Analyze 2-[[3-(2-methoxyethylsulfamoyl)phenyl]methyl]-1-(4-methoxyphenyl)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-(4-ethylphenyl)-2-[[3-(2-methoxyethylsulfamoyl)phenyl]methyl]guanidine;hydroiodide
CID 111811681
1-(4-methoxyphenyl)-2-[(3-sulfamoylphenyl)methyl]guanidine
CID 111059365
2-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]-1-(4-methoxyphenyl)guanidine;hydroiodide
CID 111068622
2-[[3-[[[amino-(4-methoxyanilino)methylidene]amino]methyl]phenyl]methyl]-1-(4-methoxyphenyl)guanidine
CID 110062228
2-[[3-(2-methoxyethoxy)phenyl]methyl]-1-(4-methoxyphenyl)guanidine
CID 111061365
1-cyclohexyl-2-[[3-(2-methoxyethylsulfamoyl)phenyl]methyl]guanidine;hydroiodide
CID 111811713
2-[[3-(2-methoxyethylsulfamoyl)phenyl]methyl]-1,1,3,3-tetramethylguanidine;hydroiodide
CID 111811705
2-benzyl-1-(4-methoxyphenyl)guanidine
CID 100672982
3-(aminomethyl)-N-(2-methoxyethyl)benzenesulfonamide
CID 16786055
1-[[3-(2-methoxyethylsulfamoyl)phenyl]methyl]-3-[(4-methoxyphenyl)methyl]-2-methylguanidine;hydroiodide
CID 111828316
1-(2,3-dihydro-1H-inden-5-yl)-2-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]guanidine
CID 111072741
2-[3-[[[amino-(4-methoxyanilino)methylidene]amino]methyl]phenoxy]acetamide
CID 111801806

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(2-methoxyethylsulfamoyl)phenyl]methyl]-1-(4-methoxyphenyl)guanidine?
The IUPAC name of 2-[[3-(2-methoxyethylsulfamoyl)phenyl]methyl]-1-(4-methoxyphenyl)guanidine (CID 111811710) is 2-[[3-(2-methoxyethylsulfamoyl)phenyl]methyl]-1-(4-methoxyphenyl)guanidine.
What is the SMILES notation for 2-[[3-(2-methoxyethylsulfamoyl)phenyl]methyl]-1-(4-methoxyphenyl)guanidine?
The canonical SMILES for 2-[[3-(2-methoxyethylsulfamoyl)phenyl]methyl]-1-(4-methoxyphenyl)guanidine is COCCNS(=O)(=O)c1cccc(C/N=C(\N)Nc2ccc(OC)cc2)c1.
What is the InChIKey of 2-[[3-(2-methoxyethylsulfamoyl)phenyl]methyl]-1-(4-methoxyphenyl)guanidine?
The InChIKey is GLNFKTAHTOTMSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O4S/c1-25-11-10-21-27(23,24)17-5-3-4-14(12-17)13-20-18(19)22-15-6-8-16(26-2)9-7-15/h3-9,12,21H,10-11,13H2,1-2H3,(H3,19,20,22).
What are the key properties of 2-[[3-(2-methoxyethylsulfamoyl)phenyl]methyl]-1-(4-methoxyphenyl)guanidine?
2-[[3-(2-methoxyethylsulfamoyl)phenyl]methyl]-1-(4-methoxyphenyl)guanidine has a molecular weight of 392.48 g/mol, XLogP of 1.55, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(2-methoxyethylsulfamoyl)phenyl]methyl]-1-(4-methoxyphenyl)guanidine is sourced from PubChem (CID 111811710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).