methyl 5-[(4-ethyl-2-methylphenyl)-methylsulfonyloxymethyl]-2-(2-methoxyphenyl)-1-propan-2-ylimidazole-4-carboxylate

C26H32N2O6S — CID 144673457

IUPACmethyl 5-[(4-ethyl-2-methylphenyl)-methylsulfonyloxymethyl]-2-(2-methoxyphenyl)-1-propan-2-ylimidazole-4-carboxylate
SMILESCCc1ccc(C(OS(C)(=O)=O)c2c(C(=O)OC)nc(-c3ccccc3OC)n2C(C)C)c(C)c1
InChIInChI=1S/C26H32N2O6S/c1-8-18-13-14-19(17(4)15-18)24(34-35(7,30)31)23-22(26(29)33-6)27-25(28(23)16(2)3)20-11-9-10-12-21(20)32-5/h9-16,24H,8H2,1-7H3
InChIKeyJHJPGROINRWCRJ-UHFFFAOYSA-N
MW500.62 g/mol
LogP4.86
Rot. Bonds9

About methyl 5-[(4-ethyl-2-methylphenyl)-methylsulfonyloxymethyl]-2-(2-methoxyphenyl)-1-propan-2-ylimidazole-4-carboxylate

methyl 5-[(4-ethyl-2-methylphenyl)-methylsulfonyloxymethyl]-2-(2-methoxyphenyl)-1-propan-2-ylimidazole-4-carboxylate (PubChem CID 144673457) has the molecular formula C26H32N2O6S and a molecular weight of 500.62 g/mol. Its IUPAC name is methyl 5-[(4-ethyl-2-methylphenyl)-methylsulfonyloxymethyl]-2-(2-methoxyphenyl)-1-propan-2-ylimidazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(4-ethyl-2-methylphenyl)-methylsulfonyloxymethyl]-2-(2-methoxyphenyl)-1-propan-2-ylimidazole-4-carboxylate
PubChem CID144673457
Molecular FormulaC26H32N2O6S
Molecular Weight500.62 g/mol
Exact Mass500.20
IUPAC Namemethyl 5-[(4-ethyl-2-methylphenyl)-methylsulfonyloxymethyl]-2-(2-methoxyphenyl)-1-propan-2-ylimidazole-4-carboxylate
SMILESCCc1ccc(C(OS(C)(=O)=O)c2c(C(=O)OC)nc(-c3ccccc3OC)n2C(C)C)c(C)c1
InChIInChI=1S/C26H32N2O6S/c1-8-18-13-14-19(17(4)15-18)24(34-35(7,30)31)23-22(26(29)33-6)27-25(28(23)16(2)3)20-11-9-10-12-21(20)32-5/h9-16,24H,8H2,1-7H3
InChIKeyJHJPGROINRWCRJ-UHFFFAOYSA-N
XLogP4.86
TPSA96.72 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.62
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Analyze methyl 5-[(4-ethyl-2-methylphenyl)-methylsulfonyloxymethyl]-2-(2-methoxyphenyl)-1-propan-2-ylimidazole-4-carboxylate 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

ethyl 5-[(4-chloro-2-hydroxyphenyl)-methylsulfanyloxymethyl]-2-(2-methoxyphenyl)-1-propan-2-ylimidazole-4-carboxylate
CID 138657450
ethyl 5-[2-[5-chloro-1-(2-hydroxyethyl)-6-oxo-3-pyridinyl]-1-(4-chloro-2-methylphenyl)ethyl]-2-(2-methoxyphenyl)-1-propan-2-ylimidazole-4-carboxylate
CID 159266373
5-[2-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-1-(4-chloro-2-methylphenyl)ethyl]-2-(2-methoxyphenyl)-1-propan-2-ylimidazole-4-carboxylic acid
CID 159585192
5-[2-(3-chloro-2-fluorophenyl)-1-(4-chloro-2-methylphenyl)ethyl]-2-(2-methoxyphenyl)-1-propan-2-ylimidazole-4-carboxylic acid
CID 147365532
ethyl 2-(2-methoxyphenyl)-5-(4-methylbenzoyl)-1-propan-2-ylimidazole-4-carboxylate
CID 144673461
methyl 2-(2-methoxyphenyl)-5-methyl-1H-imidazole-4-carboxylate
CID 43445134
methyl 2-(2-methoxyphenyl)-5-propan-2-yl-1H-imidazole-4-carboxylate
CID 43445130
5-(2-methoxyphenyl)-4-propan-2-yl-1,2,4-triazole-3-sulfonamide
CID 113366285
methyl 1-[(3,4-dimethylphenyl)methyl]-5-propan-2-yltriazole-4-carboxylate
CID 102643983
2-ethyl-5-(2-methoxyphenyl)-3-propan-2-ylimidazol-4-amine
CID 62220440
2-(4-ethyl-N-methylsulfonylanilino)-N-[1-(2-methoxyphenyl)ethyl]propanamide
CID 133161659
N-(4-ethyl-2-methylphenyl)-2-methoxybenzenesulfonamide
CID 71013503

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(4-ethyl-2-methylphenyl)-methylsulfonyloxymethyl]-2-(2-methoxyphenyl)-1-propan-2-ylimidazole-4-carboxylate?
The IUPAC name of methyl 5-[(4-ethyl-2-methylphenyl)-methylsulfonyloxymethyl]-2-(2-methoxyphenyl)-1-propan-2-ylimidazole-4-carboxylate (CID 144673457) is methyl 5-[(4-ethyl-2-methylphenyl)-methylsulfonyloxymethyl]-2-(2-methoxyphenyl)-1-propan-2-ylimidazole-4-carboxylate.
What is the SMILES notation for methyl 5-[(4-ethyl-2-methylphenyl)-methylsulfonyloxymethyl]-2-(2-methoxyphenyl)-1-propan-2-ylimidazole-4-carboxylate?
The canonical SMILES for methyl 5-[(4-ethyl-2-methylphenyl)-methylsulfonyloxymethyl]-2-(2-methoxyphenyl)-1-propan-2-ylimidazole-4-carboxylate is CCc1ccc(C(OS(C)(=O)=O)c2c(C(=O)OC)nc(-c3ccccc3OC)n2C(C)C)c(C)c1.
What is the InChIKey of methyl 5-[(4-ethyl-2-methylphenyl)-methylsulfonyloxymethyl]-2-(2-methoxyphenyl)-1-propan-2-ylimidazole-4-carboxylate?
The InChIKey is JHJPGROINRWCRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O6S/c1-8-18-13-14-19(17(4)15-18)24(34-35(7,30)31)23-22(26(29)33-6)27-25(28(23)16(2)3)20-11-9-10-12-21(20)32-5/h9-16,24H,8H2,1-7H3.
What are the key properties of methyl 5-[(4-ethyl-2-methylphenyl)-methylsulfonyloxymethyl]-2-(2-methoxyphenyl)-1-propan-2-ylimidazole-4-carboxylate?
methyl 5-[(4-ethyl-2-methylphenyl)-methylsulfonyloxymethyl]-2-(2-methoxyphenyl)-1-propan-2-ylimidazole-4-carboxylate has a molecular weight of 500.62 g/mol, XLogP of 4.86, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(4-ethyl-2-methylphenyl)-methylsulfonyloxymethyl]-2-(2-methoxyphenyl)-1-propan-2-ylimidazole-4-carboxylate is sourced from PubChem (CID 144673457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).