(4R,5S)-1,5-dimethyl-3-[3-(4-methylsulfonylphenyl)-3-phenylpropanoyl]-4-phenylimidazolidin-2-one

C27H28N2O4S — CID 69265232

IUPAC(4R,5S)-1,5-dimethyl-3-[3-(4-methylsulfonylphenyl)-3-phenylpropanoyl]-4-phenylimidazolidin-2-one
SMILESC[C@H]1[C@@H](c2ccccc2)N(C(=O)CC(c2ccccc2)c2ccc(S(C)(=O)=O)cc2)C(=O)N1C
InChIInChI=1S/C27H28N2O4S/c1-19-26(22-12-8-5-9-13-22)29(27(31)28(19)2)25(30)18-24(20-10-6-4-7-11-20)21-14-16-23(17-15-21)34(3,32)33/h4-17,19,24,26H,18H2,1-3H3/t19-,24?,26-/m0/s1
InChIKeyYGOOCADRTXFRTJ-CQDIGAOQSA-N
MW476.60 g/mol
LogP4.64
Rot. Bonds6

About (4R,5S)-1,5-dimethyl-3-[3-(4-methylsulfonylphenyl)-3-phenylpropanoyl]-4-phenylimidazolidin-2-one

(4R,5S)-1,5-dimethyl-3-[3-(4-methylsulfonylphenyl)-3-phenylpropanoyl]-4-phenylimidazolidin-2-one (PubChem CID 69265232) has the molecular formula C27H28N2O4S and a molecular weight of 476.60 g/mol. Its IUPAC name is (4R,5S)-1,5-dimethyl-3-[3-(4-methylsulfonylphenyl)-3-phenylpropanoyl]-4-phenylimidazolidin-2-one.

Molecular Properties

Compound Name(4R,5S)-1,5-dimethyl-3-[3-(4-methylsulfonylphenyl)-3-phenylpropanoyl]-4-phenylimidazolidin-2-one
PubChem CID69265232
Molecular FormulaC27H28N2O4S
Molecular Weight476.60 g/mol
Exact Mass476.18
IUPAC Name(4R,5S)-1,5-dimethyl-3-[3-(4-methylsulfonylphenyl)-3-phenylpropanoyl]-4-phenylimidazolidin-2-one
SMILESC[C@H]1[C@@H](c2ccccc2)N(C(=O)CC(c2ccccc2)c2ccc(S(C)(=O)=O)cc2)C(=O)N1C
InChIInChI=1S/C27H28N2O4S/c1-19-26(22-12-8-5-9-13-22)29(27(31)28(19)2)25(30)18-24(20-10-6-4-7-11-20)21-14-16-23(17-15-21)34(3,32)33/h4-17,19,24,26H,18H2,1-3H3/t19-,24?,26-/m0/s1
InChIKeyYGOOCADRTXFRTJ-CQDIGAOQSA-N
XLogP4.64
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.60
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4S,5R)-1-[(3R)-3-(3,5-difluorophenyl)-3-(4-methylsulfonylphenyl)propanoyl]-3,4-dimethyl-5-phenylimidazolidin-2-one
CID 69236088
1,4,5-trimethyl-3-[(3S)-3-(4-methylsulfonylphenyl)-3-phenylpropanoyl]imidazolidin-2-one
CID 142912987
(5S)-1,5-dimethyl-3-[3-(4-methylsulfonylphenyl)prop-2-enoyl]-4-phenylimidazolidin-2-one
CID 86617987
benzene;1-[(3R)-3-(3,5-difluorophenyl)-3-(4-methylsulfonylphenyl)propanoyl]-3,4-dimethylimidazolidin-2-one
CID 142988868
(4S,5R)-1-(2,2-dibromoacetyl)-3,4-dimethyl-5-phenylimidazolidin-2-one
CID 11047406
(4S,5R)-1-(2-bromopropanoyl)-3,4-dimethyl-5-phenylimidazolidin-2-one
CID 11110159
(4R,5S)-1,5-dimethyl-3-[(2S)-2-methylpentanoyl]-4-phenylimidazolidin-2-one
CID 11098197
(4S,5R)-1,5-dimethyl-3-[(E)-4-methylpent-2-enoyl]-4-phenylimidazolidin-2-one
CID 11087392
[[(4S,5R)-3,4-dimethyl-2-oxo-5-phenylimidazolidin-1-yl]-phenylmethylidene]chromium
CID 10961201
2-(4-methylsulfonylphenyl)-2-phenylethanol
CID 67638441
(4S,5R)-1-[(2S)-2-bromo-4-phenylbutanoyl]-3,4-dimethyl-5-phenylimidazolidin-2-one
CID 139179430
(4R,5R)-1-methyl-4,5-diphenyl-3-propanoylimidazolidin-2-one
CID 14905101

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-1,5-dimethyl-3-[3-(4-methylsulfonylphenyl)-3-phenylpropanoyl]-4-phenylimidazolidin-2-one?
The IUPAC name of (4R,5S)-1,5-dimethyl-3-[3-(4-methylsulfonylphenyl)-3-phenylpropanoyl]-4-phenylimidazolidin-2-one (CID 69265232) is (4R,5S)-1,5-dimethyl-3-[3-(4-methylsulfonylphenyl)-3-phenylpropanoyl]-4-phenylimidazolidin-2-one.
What is the SMILES notation for (4R,5S)-1,5-dimethyl-3-[3-(4-methylsulfonylphenyl)-3-phenylpropanoyl]-4-phenylimidazolidin-2-one?
The canonical SMILES for (4R,5S)-1,5-dimethyl-3-[3-(4-methylsulfonylphenyl)-3-phenylpropanoyl]-4-phenylimidazolidin-2-one is C[C@H]1[C@@H](c2ccccc2)N(C(=O)CC(c2ccccc2)c2ccc(S(C)(=O)=O)cc2)C(=O)N1C.
What is the InChIKey of (4R,5S)-1,5-dimethyl-3-[3-(4-methylsulfonylphenyl)-3-phenylpropanoyl]-4-phenylimidazolidin-2-one?
The InChIKey is YGOOCADRTXFRTJ-CQDIGAOQSA-N. The full InChI is InChI=1S/C27H28N2O4S/c1-19-26(22-12-8-5-9-13-22)29(27(31)28(19)2)25(30)18-24(20-10-6-4-7-11-20)21-14-16-23(17-15-21)34(3,32)33/h4-17,19,24,26H,18H2,1-3H3/t19-,24?,26-/m0/s1.
What are the key properties of (4R,5S)-1,5-dimethyl-3-[3-(4-methylsulfonylphenyl)-3-phenylpropanoyl]-4-phenylimidazolidin-2-one?
(4R,5S)-1,5-dimethyl-3-[3-(4-methylsulfonylphenyl)-3-phenylpropanoyl]-4-phenylimidazolidin-2-one has a molecular weight of 476.60 g/mol, XLogP of 4.64, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-1,5-dimethyl-3-[3-(4-methylsulfonylphenyl)-3-phenylpropanoyl]-4-phenylimidazolidin-2-one is sourced from PubChem (CID 69265232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).