(2S,4R)-3-(benzenesulfonyl)-2-(4-methoxyphenyl)-4-methyl-1-(4-methylphenyl)sulfonylimidazolidine

C24H26N2O5S2 — CID 28887671

IUPAC(2S,4R)-3-(benzenesulfonyl)-2-(4-methoxyphenyl)-4-methyl-1-(4-methylphenyl)sulfonylimidazolidine
SMILESCOc1ccc([C@H]2N(S(=O)(=O)c3ccc(C)cc3)C[C@@H](C)N2S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C24H26N2O5S2/c1-18-9-15-23(16-10-18)32(27,28)25-17-19(2)26(33(29,30)22-7-5-4-6-8-22)24(25)20-11-13-21(31-3)14-12-20/h4-16,19,24H,17H2,1-3H3/t19-,24+/m1/s1
InChIKeyIAXWFTMRKCYPLX-DVECYGJZSA-N
MW486.62 g/mol
LogP3.79
Rot. Bonds6

About (2S,4R)-3-(benzenesulfonyl)-2-(4-methoxyphenyl)-4-methyl-1-(4-methylphenyl)sulfonylimidazolidine

(2S,4R)-3-(benzenesulfonyl)-2-(4-methoxyphenyl)-4-methyl-1-(4-methylphenyl)sulfonylimidazolidine (PubChem CID 28887671) has the molecular formula C24H26N2O5S2 and a molecular weight of 486.62 g/mol. Its IUPAC name is (2S,4R)-3-(benzenesulfonyl)-2-(4-methoxyphenyl)-4-methyl-1-(4-methylphenyl)sulfonylimidazolidine.

Molecular Properties

Compound Name(2S,4R)-3-(benzenesulfonyl)-2-(4-methoxyphenyl)-4-methyl-1-(4-methylphenyl)sulfonylimidazolidine
PubChem CID28887671
Molecular FormulaC24H26N2O5S2
Molecular Weight486.62 g/mol
Exact Mass486.13
IUPAC Name(2S,4R)-3-(benzenesulfonyl)-2-(4-methoxyphenyl)-4-methyl-1-(4-methylphenyl)sulfonylimidazolidine
SMILESCOc1ccc([C@H]2N(S(=O)(=O)c3ccc(C)cc3)C[C@@H](C)N2S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C24H26N2O5S2/c1-18-9-15-23(16-10-18)32(27,28)25-17-19(2)26(33(29,30)22-7-5-4-6-8-22)24(25)20-11-13-21(31-3)14-12-20/h4-16,19,24H,17H2,1-3H3/t19-,24+/m1/s1
InChIKeyIAXWFTMRKCYPLX-DVECYGJZSA-N
XLogP3.79
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.62
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(benzenesulfonyl)-4-methyl-1-(4-methylphenyl)sulfonylimidazolidin-2-yl]-N,N-dimethylaniline
CID 17371195
1-[(2R,5R)-2-(4-methoxyphenyl)-5-methyl-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]propan-1-one
CID 29057081
[(2S)-3-(benzenesulfonyl)-2-(4-methoxyphenyl)imidazolidin-1-yl]-(4-methylphenyl)methanone
CID 41354462
(NE)-N-[1-[3-(benzenesulfonyl)-2-(4-methoxyphenyl)imidazolidin-1-yl]ethylidene]-4-methylbenzenesulfonamide
CID 46500083
(2R,5R)-1,4-bis[(4-methoxyphenyl)sulfonyl]-2,5-dimethylpiperazine
CID 1294264
(2S,5S)-2-(4-methoxyphenyl)-5-methyl-1-(4-methylphenyl)sulfonylpyrrolidine
CID 162407870
(3R,4S)-3-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-4-phenylpyrrolidine
CID 102182418
(2S,4aR,7S,8aS)-1-(benzenesulfonyl)-2-(4-methoxyphenyl)-7-(4-methylphenyl)-6-(4-methylphenyl)sulfonyl-3,4a,5,7,8,8a-hexahydro-2H-1,6-naphthyridin-4-one
CID 140958121
2-chloro-1-[(2S)-2-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]ethanone
CID 7355204
(2S,3R)-2-ethenyl-3-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonylazetidine
CID 102255866
2-chloro-1-[5-methyl-3-(4-methylphenyl)sulfonyl-2-phenylimidazolidin-1-yl]ethanone
CID 17371182
(3R,10bR)-2-(benzenesulfonyl)-3-(4-methoxyphenyl)-3,5,6,10b-tetrahydro-1H-imidazo[5,1-a]isoquinoline
CID 92699000

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-3-(benzenesulfonyl)-2-(4-methoxyphenyl)-4-methyl-1-(4-methylphenyl)sulfonylimidazolidine?
The IUPAC name of (2S,4R)-3-(benzenesulfonyl)-2-(4-methoxyphenyl)-4-methyl-1-(4-methylphenyl)sulfonylimidazolidine (CID 28887671) is (2S,4R)-3-(benzenesulfonyl)-2-(4-methoxyphenyl)-4-methyl-1-(4-methylphenyl)sulfonylimidazolidine.
What is the SMILES notation for (2S,4R)-3-(benzenesulfonyl)-2-(4-methoxyphenyl)-4-methyl-1-(4-methylphenyl)sulfonylimidazolidine?
The canonical SMILES for (2S,4R)-3-(benzenesulfonyl)-2-(4-methoxyphenyl)-4-methyl-1-(4-methylphenyl)sulfonylimidazolidine is COc1ccc([C@H]2N(S(=O)(=O)c3ccc(C)cc3)C[C@@H](C)N2S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of (2S,4R)-3-(benzenesulfonyl)-2-(4-methoxyphenyl)-4-methyl-1-(4-methylphenyl)sulfonylimidazolidine?
The InChIKey is IAXWFTMRKCYPLX-DVECYGJZSA-N. The full InChI is InChI=1S/C24H26N2O5S2/c1-18-9-15-23(16-10-18)32(27,28)25-17-19(2)26(33(29,30)22-7-5-4-6-8-22)24(25)20-11-13-21(31-3)14-12-20/h4-16,19,24H,17H2,1-3H3/t19-,24+/m1/s1.
What are the key properties of (2S,4R)-3-(benzenesulfonyl)-2-(4-methoxyphenyl)-4-methyl-1-(4-methylphenyl)sulfonylimidazolidine?
(2S,4R)-3-(benzenesulfonyl)-2-(4-methoxyphenyl)-4-methyl-1-(4-methylphenyl)sulfonylimidazolidine has a molecular weight of 486.62 g/mol, XLogP of 3.79, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-3-(benzenesulfonyl)-2-(4-methoxyphenyl)-4-methyl-1-(4-methylphenyl)sulfonylimidazolidine is sourced from PubChem (CID 28887671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).