1-(2,4-dimethylphenyl)-2-methylsulfonyl-3-(2,4,6-trimethylphenyl)guanidine

C19H25N3O2S — CID 46379222

IUPAC1-(2,4-dimethylphenyl)-2-methylsulfonyl-3-(2,4,6-trimethylphenyl)guanidine
SMILESCc1ccc(N/C(=N/S(C)(=O)=O)Nc2c(C)cc(C)cc2C)c(C)c1
InChIInChI=1S/C19H25N3O2S/c1-12-7-8-17(14(3)9-12)20-19(22-25(6,23)24)21-18-15(4)10-13(2)11-16(18)5/h7-11H,1-6H3,(H2,20,21,22)
InChIKeySRCJQKGZFQRBAZ-UHFFFAOYSA-N
MW359.50 g/mol
LogP4.07
Rot. Bonds3

About 1-(2,4-dimethylphenyl)-2-methylsulfonyl-3-(2,4,6-trimethylphenyl)guanidine

1-(2,4-dimethylphenyl)-2-methylsulfonyl-3-(2,4,6-trimethylphenyl)guanidine (PubChem CID 46379222) has the molecular formula C19H25N3O2S and a molecular weight of 359.50 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-2-methylsulfonyl-3-(2,4,6-trimethylphenyl)guanidine.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-2-methylsulfonyl-3-(2,4,6-trimethylphenyl)guanidine
PubChem CID46379222
Molecular FormulaC19H25N3O2S
Molecular Weight359.50 g/mol
Exact Mass359.17
IUPAC Name1-(2,4-dimethylphenyl)-2-methylsulfonyl-3-(2,4,6-trimethylphenyl)guanidine
SMILESCc1ccc(N/C(=N/S(C)(=O)=O)Nc2c(C)cc(C)cc2C)c(C)c1
InChIInChI=1S/C19H25N3O2S/c1-12-7-8-17(14(3)9-12)20-19(22-25(6,23)24)21-18-15(4)10-13(2)11-16(18)5/h7-11H,1-6H3,(H2,20,21,22)
InChIKeySRCJQKGZFQRBAZ-UHFFFAOYSA-N
XLogP4.07
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(2,4-dimethylphenyl)-2-methylsulfonyl-3-(2,4,6-trimethylphenyl)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

methyl N'-methylsulfonyl-N-(2,4,6-trimethylphenyl)carbamimidate
CID 14399776
N,N'-bis(2,4-dimethylphenyl)oxamide
CID 3416969
N-(4-hydroxy-2-methylphenyl)-N'-(2,4,6-trimethylphenyl)oxamide
CID 108509461
N-(2,4-dimethylphenyl)carbamoyl fluoride
CID 88833294
2-(2,5-dimethylanilino)-N-(2,4,6-trimethylphenyl)acetamide
CID 26415868
N-(2,4-dimethylphenyl)-4-methylbenzamide
CID 774370
2-(2-chloro-N-methylsulfonylanilino)-N-(2,4-dimethylphenyl)acetamide
CID 51343170
N-(2,4-dimethylphenyl)-2-[4-(methanesulfonamido)triazol-2-yl]acetamide
CID 112522883
N-(2,4-dimethylphenyl)-2-methyl-5-(methylsulfamoyl)benzamide
CID 51297738
(E)-2-cyano-N-(2,4-dimethylphenyl)-3-(2,4,6-trimethylphenyl)prop-2-enamide
CID 8865213
1-amino-3-(2,4-dimethylphenyl)-2-propylguanidine
CID 116512290
N-(2,4-dimethylphenyl)-3-sulfamoylpropanamide
CID 167944439

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-2-methylsulfonyl-3-(2,4,6-trimethylphenyl)guanidine?
The IUPAC name of 1-(2,4-dimethylphenyl)-2-methylsulfonyl-3-(2,4,6-trimethylphenyl)guanidine (CID 46379222) is 1-(2,4-dimethylphenyl)-2-methylsulfonyl-3-(2,4,6-trimethylphenyl)guanidine.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-2-methylsulfonyl-3-(2,4,6-trimethylphenyl)guanidine?
The canonical SMILES for 1-(2,4-dimethylphenyl)-2-methylsulfonyl-3-(2,4,6-trimethylphenyl)guanidine is Cc1ccc(N/C(=N/S(C)(=O)=O)Nc2c(C)cc(C)cc2C)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-2-methylsulfonyl-3-(2,4,6-trimethylphenyl)guanidine?
The InChIKey is SRCJQKGZFQRBAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2S/c1-12-7-8-17(14(3)9-12)20-19(22-25(6,23)24)21-18-15(4)10-13(2)11-16(18)5/h7-11H,1-6H3,(H2,20,21,22).
What are the key properties of 1-(2,4-dimethylphenyl)-2-methylsulfonyl-3-(2,4,6-trimethylphenyl)guanidine?
1-(2,4-dimethylphenyl)-2-methylsulfonyl-3-(2,4,6-trimethylphenyl)guanidine has a molecular weight of 359.50 g/mol, XLogP of 4.07, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-2-methylsulfonyl-3-(2,4,6-trimethylphenyl)guanidine is sourced from PubChem (CID 46379222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).