(5S)-3-[(4-tert-butylphenyl)methyl]-5-(2-methylsulfonylethyl)imidazolidine-2,4-dione

C17H24N2O4S — CID 40751097

IUPAC(5S)-3-[(4-tert-butylphenyl)methyl]-5-(2-methylsulfonylethyl)imidazolidine-2,4-dione
SMILESCC(C)(C)c1ccc(CN2C(=O)N[C@@H](CCS(C)(=O)=O)C2=O)cc1
InChIInChI=1S/C17H24N2O4S/c1-17(2,3)13-7-5-12(6-8-13)11-19-15(20)14(18-16(19)21)9-10-24(4,22)23/h5-8,14H,9-11H2,1-4H3,(H,18,21)/t14-/m0/s1
InChIKeyAJGSGIGHNHUSOE-AWEZNQCLSA-N
MW352.46 g/mol
LogP1.84
Rot. Bonds5

About (5S)-3-[(4-tert-butylphenyl)methyl]-5-(2-methylsulfonylethyl)imidazolidine-2,4-dione

(5S)-3-[(4-tert-butylphenyl)methyl]-5-(2-methylsulfonylethyl)imidazolidine-2,4-dione (PubChem CID 40751097) has the molecular formula C17H24N2O4S and a molecular weight of 352.46 g/mol. Its IUPAC name is (5S)-3-[(4-tert-butylphenyl)methyl]-5-(2-methylsulfonylethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-3-[(4-tert-butylphenyl)methyl]-5-(2-methylsulfonylethyl)imidazolidine-2,4-dione
PubChem CID40751097
Molecular FormulaC17H24N2O4S
Molecular Weight352.46 g/mol
Exact Mass352.15
IUPAC Name(5S)-3-[(4-tert-butylphenyl)methyl]-5-(2-methylsulfonylethyl)imidazolidine-2,4-dione
SMILESCC(C)(C)c1ccc(CN2C(=O)N[C@@H](CCS(C)(=O)=O)C2=O)cc1
InChIInChI=1S/C17H24N2O4S/c1-17(2,3)13-7-5-12(6-8-13)11-19-15(20)14(18-16(19)21)9-10-24(4,22)23/h5-8,14H,9-11H2,1-4H3,(H,18,21)/t14-/m0/s1
InChIKeyAJGSGIGHNHUSOE-AWEZNQCLSA-N
XLogP1.84
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

(5R)-5-(2-methylsulfonylethyl)-3-[[4-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione
CID 40880325
(5S)-3-[(4-bromophenyl)methyl]-5-(2-methylsulfonylethyl)imidazolidine-2,4-dione
CID 40750751
(5S)-3-[(4-tert-butylphenyl)methyl]-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 7917027
5-(2-methylsulfonylethyl)-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione
CID 115578460
(5R)-3-(2-methylsulfonylethyl)-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 95582364
(5S)-3-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]-5-(2-methylsulfonylethyl)imidazolidine-2,4-dione
CID 40751131
N-[4-[(2,5-dioxo-4-propylimidazolidin-1-yl)methyl]phenyl]ethanesulfonamide
CID 75498380
(5R)-5-(2-methylsulfonylethyl)-3-phenacylimidazolidine-2,4-dione
CID 9166115
3-[[4-(difluoromethylsulfonyl)phenyl]methyl]-5-propylimidazolidine-2,4-dione
CID 78880606
3-(3-chlorophenyl)-5-(2-methylsulfonylethyl)imidazolidine-2,4-dione
CID 43557973
3-[(4R)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanoic acid
CID 51646647
2-[4-[(2,5-dioxo-4-propylimidazolidin-1-yl)methyl]phenyl]acetic acid
CID 105345329

Frequently Asked Questions

What is the IUPAC name of (5S)-3-[(4-tert-butylphenyl)methyl]-5-(2-methylsulfonylethyl)imidazolidine-2,4-dione?
The IUPAC name of (5S)-3-[(4-tert-butylphenyl)methyl]-5-(2-methylsulfonylethyl)imidazolidine-2,4-dione (CID 40751097) is (5S)-3-[(4-tert-butylphenyl)methyl]-5-(2-methylsulfonylethyl)imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-3-[(4-tert-butylphenyl)methyl]-5-(2-methylsulfonylethyl)imidazolidine-2,4-dione?
The canonical SMILES for (5S)-3-[(4-tert-butylphenyl)methyl]-5-(2-methylsulfonylethyl)imidazolidine-2,4-dione is CC(C)(C)c1ccc(CN2C(=O)N[C@@H](CCS(C)(=O)=O)C2=O)cc1.
What is the InChIKey of (5S)-3-[(4-tert-butylphenyl)methyl]-5-(2-methylsulfonylethyl)imidazolidine-2,4-dione?
The InChIKey is AJGSGIGHNHUSOE-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H24N2O4S/c1-17(2,3)13-7-5-12(6-8-13)11-19-15(20)14(18-16(19)21)9-10-24(4,22)23/h5-8,14H,9-11H2,1-4H3,(H,18,21)/t14-/m0/s1.
What are the key properties of (5S)-3-[(4-tert-butylphenyl)methyl]-5-(2-methylsulfonylethyl)imidazolidine-2,4-dione?
(5S)-3-[(4-tert-butylphenyl)methyl]-5-(2-methylsulfonylethyl)imidazolidine-2,4-dione has a molecular weight of 352.46 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-[(4-tert-butylphenyl)methyl]-5-(2-methylsulfonylethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 40751097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).