ethyl (4R,5R)-1-(4-methylphenyl)sulfonyl-5-phenyl-4,5-dihydroimidazole-4-carboxylate

C19H20N2O4S — CID 10666999

IUPACethyl (4R,5R)-1-(4-methylphenyl)sulfonyl-5-phenyl-4,5-dihydroimidazole-4-carboxylate
SMILESCCOC(=O)[C@@H]1N=CN(S(=O)(=O)c2ccc(C)cc2)[C@@H]1c1ccccc1
InChIInChI=1S/C19H20N2O4S/c1-3-25-19(22)17-18(15-7-5-4-6-8-15)21(13-20-17)26(23,24)16-11-9-14(2)10-12-16/h4-13,17-18H,3H2,1-2H3/t17-,18-/m1/s1
InChIKeyVOKTVOZJUNKGBW-QZTJIDSGSA-N
MW372.45 g/mol
LogP2.70
Rot. Bonds5

About ethyl (4R,5R)-1-(4-methylphenyl)sulfonyl-5-phenyl-4,5-dihydroimidazole-4-carboxylate

ethyl (4R,5R)-1-(4-methylphenyl)sulfonyl-5-phenyl-4,5-dihydroimidazole-4-carboxylate (PubChem CID 10666999) has the molecular formula C19H20N2O4S and a molecular weight of 372.45 g/mol. Its IUPAC name is ethyl (4R,5R)-1-(4-methylphenyl)sulfonyl-5-phenyl-4,5-dihydroimidazole-4-carboxylate.

Molecular Properties

Compound Nameethyl (4R,5R)-1-(4-methylphenyl)sulfonyl-5-phenyl-4,5-dihydroimidazole-4-carboxylate
PubChem CID10666999
Molecular FormulaC19H20N2O4S
Molecular Weight372.45 g/mol
Exact Mass372.11
IUPAC Nameethyl (4R,5R)-1-(4-methylphenyl)sulfonyl-5-phenyl-4,5-dihydroimidazole-4-carboxylate
SMILESCCOC(=O)[C@@H]1N=CN(S(=O)(=O)c2ccc(C)cc2)[C@@H]1c1ccccc1
InChIInChI=1S/C19H20N2O4S/c1-3-25-19(22)17-18(15-7-5-4-6-8-15)21(13-20-17)26(23,24)16-11-9-14(2)10-12-16/h4-13,17-18H,3H2,1-2H3/t17-,18-/m1/s1
InChIKeyVOKTVOZJUNKGBW-QZTJIDSGSA-N
XLogP2.70
TPSA76.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl (4S,5R)-5-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-4,5-dihydroimidazole-4-carboxylate
CID 101422314
methyl 1-(4-methylphenyl)sulfonyl-5-(2,4,6-trimethylphenyl)-4,5-dihydroimidazole-4-carboxylate
CID 21176350
ethyl (4R,5S)-1-[4-(4-chlorophenoxy)phenyl]-3-(4-methylphenyl)sulfonyl-2-oxo-5-phenylimidazolidine-4-carboxylate
CID 59485673
(2S,3S)-N,N-dimethyl-1-(4-methylphenyl)sulfonyl-3-phenylaziridine-2-carboxamide
CID 15326329
ethyl (2R,3R)-3-[(R)-hydroxy(phenyl)methyl]-1-(4-methylphenyl)sulfonylaziridine-2-carboxylate
CID 11036160
ethyl (2S,3R)-3-(2-chlorophenyl)-1-(4-methylphenyl)sulfonylaziridine-2-carboxylate
CID 11440377
(4R,5R)-1,3-bis-(4-methylphenyl)sulfonyl-2-(2-methylprop-2-enyl)-4,5-diphenyl-1,3,2-diazaborolidine
CID 134906244
ethyl (E)-2-[(2S,3R)-3-(4-methylphenyl)-1-(4-methylphenyl)sulfonylaziridin-2-yl]-3-phenylprop-2-enoate
CID 177447242
ethyl (2R)-1-(4-methylphenyl)sulfonyl-4-oxo-2,3-dihydropyridine-2-carboxylate
CID 134918508
ethyl (2S,3S)-3-methyl-1-(4-methylphenyl)sulfonyl-4-oxo-2,3-dihydropyridine-2-carboxylate
CID 10544922
ethyl 4,6-diamino-5-cyano-1-(4-methylphenyl)sulfonyl-3-phenyl-2,3-dihydropyrrolo[2,3-b]pyridine-2-carboxylate
CID 163363675
trimethyl-[(2R,3S)-1-(4-methylphenyl)sulfonyl-3-phenylaziridin-2-yl]silane
CID 15500792

Frequently Asked Questions

What is the IUPAC name of ethyl (4R,5R)-1-(4-methylphenyl)sulfonyl-5-phenyl-4,5-dihydroimidazole-4-carboxylate?
The IUPAC name of ethyl (4R,5R)-1-(4-methylphenyl)sulfonyl-5-phenyl-4,5-dihydroimidazole-4-carboxylate (CID 10666999) is ethyl (4R,5R)-1-(4-methylphenyl)sulfonyl-5-phenyl-4,5-dihydroimidazole-4-carboxylate.
What is the SMILES notation for ethyl (4R,5R)-1-(4-methylphenyl)sulfonyl-5-phenyl-4,5-dihydroimidazole-4-carboxylate?
The canonical SMILES for ethyl (4R,5R)-1-(4-methylphenyl)sulfonyl-5-phenyl-4,5-dihydroimidazole-4-carboxylate is CCOC(=O)[C@@H]1N=CN(S(=O)(=O)c2ccc(C)cc2)[C@@H]1c1ccccc1.
What is the InChIKey of ethyl (4R,5R)-1-(4-methylphenyl)sulfonyl-5-phenyl-4,5-dihydroimidazole-4-carboxylate?
The InChIKey is VOKTVOZJUNKGBW-QZTJIDSGSA-N. The full InChI is InChI=1S/C19H20N2O4S/c1-3-25-19(22)17-18(15-7-5-4-6-8-15)21(13-20-17)26(23,24)16-11-9-14(2)10-12-16/h4-13,17-18H,3H2,1-2H3/t17-,18-/m1/s1.
What are the key properties of ethyl (4R,5R)-1-(4-methylphenyl)sulfonyl-5-phenyl-4,5-dihydroimidazole-4-carboxylate?
ethyl (4R,5R)-1-(4-methylphenyl)sulfonyl-5-phenyl-4,5-dihydroimidazole-4-carboxylate has a molecular weight of 372.45 g/mol, XLogP of 2.70, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (4R,5R)-1-(4-methylphenyl)sulfonyl-5-phenyl-4,5-dihydroimidazole-4-carboxylate is sourced from PubChem (CID 10666999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).