1,4,5-trimethyl-3-[(3S)-3-(4-methylsulfonylphenyl)-3-phenylpropanoyl]imidazolidin-2-one

C22H26N2O4S — CID 142912987

IUPAC1,4,5-trimethyl-3-[(3S)-3-(4-methylsulfonylphenyl)-3-phenylpropanoyl]imidazolidin-2-one
SMILESCC1C(C)N(C(=O)C[C@@H](c2ccccc2)c2ccc(S(C)(=O)=O)cc2)C(=O)N1C
InChIInChI=1S/C22H26N2O4S/c1-15-16(2)24(22(26)23(15)3)21(25)14-20(17-8-6-5-7-9-17)18-10-12-19(13-11-18)29(4,27)28/h5-13,15-16,20H,14H2,1-4H3/t15?,16?,20-/m0/s1
InChIKeyRSRNXZQGTPVATO-PMTKGXAQSA-N
MW414.53 g/mol
LogP3.28
Rot. Bonds5

About 1,4,5-trimethyl-3-[(3S)-3-(4-methylsulfonylphenyl)-3-phenylpropanoyl]imidazolidin-2-one

1,4,5-trimethyl-3-[(3S)-3-(4-methylsulfonylphenyl)-3-phenylpropanoyl]imidazolidin-2-one (PubChem CID 142912987) has the molecular formula C22H26N2O4S and a molecular weight of 414.53 g/mol. Its IUPAC name is 1,4,5-trimethyl-3-[(3S)-3-(4-methylsulfonylphenyl)-3-phenylpropanoyl]imidazolidin-2-one.

Molecular Properties

Compound Name1,4,5-trimethyl-3-[(3S)-3-(4-methylsulfonylphenyl)-3-phenylpropanoyl]imidazolidin-2-one
PubChem CID142912987
Molecular FormulaC22H26N2O4S
Molecular Weight414.53 g/mol
Exact Mass414.16
IUPAC Name1,4,5-trimethyl-3-[(3S)-3-(4-methylsulfonylphenyl)-3-phenylpropanoyl]imidazolidin-2-one
SMILESCC1C(C)N(C(=O)C[C@@H](c2ccccc2)c2ccc(S(C)(=O)=O)cc2)C(=O)N1C
InChIInChI=1S/C22H26N2O4S/c1-15-16(2)24(22(26)23(15)3)21(25)14-20(17-8-6-5-7-9-17)18-10-12-19(13-11-18)29(4,27)28/h5-13,15-16,20H,14H2,1-4H3/t15?,16?,20-/m0/s1
InChIKeyRSRNXZQGTPVATO-PMTKGXAQSA-N
XLogP3.28
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.53
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4R,5S)-1,5-dimethyl-3-[3-(4-methylsulfonylphenyl)-3-phenylpropanoyl]-4-phenylimidazolidin-2-one
CID 69265232
(4S,5R)-1-[(3R)-3-(3,5-difluorophenyl)-3-(4-methylsulfonylphenyl)propanoyl]-3,4-dimethyl-5-phenylimidazolidin-2-one
CID 69236088
benzene;1-[(3R)-3-(3,5-difluorophenyl)-3-(4-methylsulfonylphenyl)propanoyl]-3,4-dimethylimidazolidin-2-one
CID 142988868
(5S)-1,5-dimethyl-3-[3-(4-methylsulfonylphenyl)prop-2-enoyl]-4-phenylimidazolidin-2-one
CID 86617987
2-(4-methylsulfonylphenyl)-2-phenylethanol
CID 67638441
N-[(4-methylsulfonylphenyl)-phenylmethyl]ethanamine
CID 43489121
[(4-methylsulfonylphenyl)-phenylmethyl]hydrazine
CID 105282883
1-(4-methylsulfonylphenyl)-2-phenylethanol
CID 19073233
1-methyl-5-[3-(2-methylphenyl)-3-(4-methylsulfonylphenyl)propanoyl]pyridin-2-one
CID 66668194
1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-3,3-diphenylpropan-1-one
CID 7322462
1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-3,3-diphenylpropan-1-one
CID 40599711
N-(2-methyl-5-methylsulfonylphenyl)-3,3-diphenylpropanamide
CID 27990757

Frequently Asked Questions

What is the IUPAC name of 1,4,5-trimethyl-3-[(3S)-3-(4-methylsulfonylphenyl)-3-phenylpropanoyl]imidazolidin-2-one?
The IUPAC name of 1,4,5-trimethyl-3-[(3S)-3-(4-methylsulfonylphenyl)-3-phenylpropanoyl]imidazolidin-2-one (CID 142912987) is 1,4,5-trimethyl-3-[(3S)-3-(4-methylsulfonylphenyl)-3-phenylpropanoyl]imidazolidin-2-one.
What is the SMILES notation for 1,4,5-trimethyl-3-[(3S)-3-(4-methylsulfonylphenyl)-3-phenylpropanoyl]imidazolidin-2-one?
The canonical SMILES for 1,4,5-trimethyl-3-[(3S)-3-(4-methylsulfonylphenyl)-3-phenylpropanoyl]imidazolidin-2-one is CC1C(C)N(C(=O)C[C@@H](c2ccccc2)c2ccc(S(C)(=O)=O)cc2)C(=O)N1C.
What is the InChIKey of 1,4,5-trimethyl-3-[(3S)-3-(4-methylsulfonylphenyl)-3-phenylpropanoyl]imidazolidin-2-one?
The InChIKey is RSRNXZQGTPVATO-PMTKGXAQSA-N. The full InChI is InChI=1S/C22H26N2O4S/c1-15-16(2)24(22(26)23(15)3)21(25)14-20(17-8-6-5-7-9-17)18-10-12-19(13-11-18)29(4,27)28/h5-13,15-16,20H,14H2,1-4H3/t15?,16?,20-/m0/s1.
What are the key properties of 1,4,5-trimethyl-3-[(3S)-3-(4-methylsulfonylphenyl)-3-phenylpropanoyl]imidazolidin-2-one?
1,4,5-trimethyl-3-[(3S)-3-(4-methylsulfonylphenyl)-3-phenylpropanoyl]imidazolidin-2-one has a molecular weight of 414.53 g/mol, XLogP of 3.28, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,5-trimethyl-3-[(3S)-3-(4-methylsulfonylphenyl)-3-phenylpropanoyl]imidazolidin-2-one is sourced from PubChem (CID 142912987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).