3-tert-butyl-1-(4-methylphenyl)sulfonyl-4-phenylimidazolidin-2-one

C20H24N2O3S — CID 15418830

IUPAC3-tert-butyl-1-(4-methylphenyl)sulfonyl-4-phenylimidazolidin-2-one
SMILESCc1ccc(S(=O)(=O)N2CC(c3ccccc3)N(C(C)(C)C)C2=O)cc1
InChIInChI=1S/C20H24N2O3S/c1-15-10-12-17(13-11-15)26(24,25)21-14-18(16-8-6-5-7-9-16)22(19(21)23)20(2,3)4/h5-13,18H,14H2,1-4H3
InChIKeyVSWGFIKOCSVFRO-UHFFFAOYSA-N
MW372.49 g/mol
LogP3.96
Rot. Bonds3

About 3-tert-butyl-1-(4-methylphenyl)sulfonyl-4-phenylimidazolidin-2-one

3-tert-butyl-1-(4-methylphenyl)sulfonyl-4-phenylimidazolidin-2-one (PubChem CID 15418830) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is 3-tert-butyl-1-(4-methylphenyl)sulfonyl-4-phenylimidazolidin-2-one.

Molecular Properties

Compound Name3-tert-butyl-1-(4-methylphenyl)sulfonyl-4-phenylimidazolidin-2-one
PubChem CID15418830
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC Name3-tert-butyl-1-(4-methylphenyl)sulfonyl-4-phenylimidazolidin-2-one
SMILESCc1ccc(S(=O)(=O)N2CC(c3ccccc3)N(C(C)(C)C)C2=O)cc1
InChIInChI=1S/C20H24N2O3S/c1-15-10-12-17(13-11-15)26(24,25)21-14-18(16-8-6-5-7-9-16)22(19(21)23)20(2,3)4/h5-13,18H,14H2,1-4H3
InChIKeyVSWGFIKOCSVFRO-UHFFFAOYSA-N
XLogP3.96
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methylphenyl)sulfonyl-2-phenylaziridine
CID 576319
1-(benzenesulfonyl)-4-phenyl-3-propylimidazolidin-2-one
CID 15418827
(2S)-1-(4-methylphenyl)sulfonyl-2-phenylazetidine
CID 16731480
1-(4-iodophenyl)-5-methyl-4-(4-methylphenyl)sulfonyl-2-phenyl-2,3-dihydropyrazine
CID 162406807
(2Z)-2-benzylidene-1-(4-methylphenyl)sulfonyl-4,5-diphenylpiperazine
CID 162406799
(2R,3R,5S)-1,4-bis-(4-methylphenyl)sulfonyl-2,3,5-triphenylpiperazine
CID 134953521
(4R)-3-(4-methylphenyl)-1-(4-methylphenyl)sulfonyl-4-phenylimidazolidine
CID 132992661
3-(4-methylphenyl)-1-(4-methylphenyl)sulfonyl-4-phenylimidazolidine
CID 132992751
(2S)-1-(4-methylphenyl)sulfonyl-2-phenyl-2,3-dihydropyridin-6-one
CID 122228868
2-benzyl-1-(4-methylphenyl)sulfonyl-4-phenyl-4,5-dihydroimidazole
CID 53483626
1-(4-methylphenyl)sulfonyl-4-phenyl-2-propyl-4,5-dihydroimidazole
CID 101391819
(2R,4R)-3-(4-methylphenyl)sulfonyl-2,4-diphenyl-1,3-oxazolidine
CID 102473250

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-(4-methylphenyl)sulfonyl-4-phenylimidazolidin-2-one?
The IUPAC name of 3-tert-butyl-1-(4-methylphenyl)sulfonyl-4-phenylimidazolidin-2-one (CID 15418830) is 3-tert-butyl-1-(4-methylphenyl)sulfonyl-4-phenylimidazolidin-2-one.
What is the SMILES notation for 3-tert-butyl-1-(4-methylphenyl)sulfonyl-4-phenylimidazolidin-2-one?
The canonical SMILES for 3-tert-butyl-1-(4-methylphenyl)sulfonyl-4-phenylimidazolidin-2-one is Cc1ccc(S(=O)(=O)N2CC(c3ccccc3)N(C(C)(C)C)C2=O)cc1.
What is the InChIKey of 3-tert-butyl-1-(4-methylphenyl)sulfonyl-4-phenylimidazolidin-2-one?
The InChIKey is VSWGFIKOCSVFRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-15-10-12-17(13-11-15)26(24,25)21-14-18(16-8-6-5-7-9-16)22(19(21)23)20(2,3)4/h5-13,18H,14H2,1-4H3.
What are the key properties of 3-tert-butyl-1-(4-methylphenyl)sulfonyl-4-phenylimidazolidin-2-one?
3-tert-butyl-1-(4-methylphenyl)sulfonyl-4-phenylimidazolidin-2-one has a molecular weight of 372.49 g/mol, XLogP of 3.96, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-(4-methylphenyl)sulfonyl-4-phenylimidazolidin-2-one is sourced from PubChem (CID 15418830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).