Methyl 1-(1-(((2-(hexadecyloxy)-5-((methylamino)sulphonyl)phenyl)amino)carbonyl)-3,3-dimethyl-2-oxobutyl)-1H-imidazole-5-carboxylate

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Basic information

CAS: 58517-90-1
Standard SMILES: CCCCCCCCCCCCCCCCOc1ccc(S(=O)(=O)NC)cc1NC(=O)C(C(=O)C(C)(C)C)n1cncc1C(=O)OC
InChIKey: GIFUEPRVNOQDJA-UHFFFAOYSA-N
Molecular formula: C35H56N4O7S
Average molar mass: 676.9 g/mol
Monoisotopic mass: 676.38697131

Names & identifiers

Preferred name: Methyl 1-(1-(((2-(hexadecyloxy)-5-((methylamino)sulphonyl)phenyl)amino)carbonyl)-3,3-dimethyl-2-oxobutyl)-1H-imidazole-5-carboxylate
IUPAC: methyl 3-[1-[2-hexadecoxy-5-(methylsulfamoyl)anilino]-4,4-dimethyl-1,3-dioxopentan-2-yl]imidazole-4-carboxylate
English name: methyl 1-[1-[[[2-(hexadecyloxy)-5-[(methylamino)sulphonyl]phenyl]amino]carbonyl]-3,3-dimethyl-2-oxobutyl]-1H-imidazole-5-carboxylate
Molecular formula: C35H56N4O7S
Molecular weight: 676.91

Names & synonyms

58517-90-1EINECS 261-304-9Methyl 1-(1-(((2-(hexadecyloxy)-5-((methylamino)sulphonyl)phenyl)amino)carbonyl)-3,3-dimethyl-2-oxobutyl)-1H-imidazole-5-carboxylateDTXSID60974071GIFUEPRVNOQDJA-UHFFFAOYSA-NNS00054101N-[2-(Hexadecyloxy)-5-(methylsulfamoyl)phenyl]-2-[5-(methoxycarbonyl)-1H-imidazol-1-yl]-4,4-dimethyl-3-oxopentanimidic acidmethyl 3-[1-[2-hexadecoxy-5-(methylsulfamoyl)anilino]-4,4-dimethyl-1,3-dioxopentan-2-yl]imidazole-4-carboxylatemethyl 1-[1-[[[2-(hexadecyloxy)-5-[(methylamino)sulphonyl]phenyl]amino]carbonyl]-3,3-dimethyl-2-oxobutyl]-1H-imidazole-5-carboxylate1-[1-[[[2-(Hexadecyloxy)-5-[(methylamino)sulfonyl]phenyl]amino]carbonyl]-3,3-dimethyl-2-oxobutyl]-1H-imidazole-5-carboxylic acid methyl ester1H-Imidazole-5-carboxylic acid, 1-[1-[[[2-(hexadecyloxy)-5-[(methylamino)sulfonyl]phenyl]amino]carbonyl]-3,3-dimethyl-2-oxobutyl]-, methyl ester

Database identifiers

CAS: 58517-90-1

Properties

Computed structural properties

XLogP: 9.8
Topological polar surface area: 154 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 9
Rotatable bonds: 25
Heavy atoms: 47
Formal charge: 0
Complexity: 1,040

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Compound notes

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