(5S)-5-benzyl-3-(3,4-dimethylphenyl)sulfonylimidazolidine-2,4-dione

C18H18N2O4S — CID 139711441

IUPAC(5S)-5-benzyl-3-(3,4-dimethylphenyl)sulfonylimidazolidine-2,4-dione
SMILESCc1ccc(S(=O)(=O)N2C(=O)N[C@@H](Cc3ccccc3)C2=O)cc1C
InChIInChI=1S/C18H18N2O4S/c1-12-8-9-15(10-13(12)2)25(23,24)20-17(21)16(19-18(20)22)11-14-6-4-3-5-7-14/h3-10,16H,11H2,1-2H3,(H,19,22)/t16-/m0/s1
InChIKeyFVABSWZHYQHQRJ-INIZCTEOSA-N
MW358.42 g/mol
LogP2.16
Rot. Bonds4

About (5S)-5-benzyl-3-(3,4-dimethylphenyl)sulfonylimidazolidine-2,4-dione

(5S)-5-benzyl-3-(3,4-dimethylphenyl)sulfonylimidazolidine-2,4-dione (PubChem CID 139711441) has the molecular formula C18H18N2O4S and a molecular weight of 358.42 g/mol. Its IUPAC name is (5S)-5-benzyl-3-(3,4-dimethylphenyl)sulfonylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-benzyl-3-(3,4-dimethylphenyl)sulfonylimidazolidine-2,4-dione
PubChem CID139711441
Molecular FormulaC18H18N2O4S
Molecular Weight358.42 g/mol
Exact Mass358.10
IUPAC Name(5S)-5-benzyl-3-(3,4-dimethylphenyl)sulfonylimidazolidine-2,4-dione
SMILESCc1ccc(S(=O)(=O)N2C(=O)N[C@@H](Cc3ccccc3)C2=O)cc1C
InChIInChI=1S/C18H18N2O4S/c1-12-8-9-15(10-13(12)2)25(23,24)20-17(21)16(19-18(20)22)11-14-6-4-3-5-7-14/h3-10,16H,11H2,1-2H3,(H,19,22)/t16-/m0/s1
InChIKeyFVABSWZHYQHQRJ-INIZCTEOSA-N
XLogP2.16
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 52.16
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

3-[(4S)-4-benzyl-2,5-dioxoimidazolidin-1-yl]sulfonylbenzoic acid
CID 139711429
(5S)-3-(4-chlorophenyl)sulfonyl-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 139711446
(5R)-5-(4-benzylpiperidine-1-carbonyl)-1-(3,4-dimethylphenyl)sulfonylpyrrolidin-2-one
CID 93059372
2-benzyl-4-(3,4-dimethylphenyl)sulfonyl-6-methylmorpholine
CID 110644203
5-benzyl-3-(2-fluorophenyl)imidazolidine-2,4-dione
CID 43402824
(2S)-N-benzyl-1-(3,4-dimethylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 110286168
4-benzyl-1-(4-bromo-3-methylphenyl)sulfonylpiperidine
CID 7938048
2-(4-benzyl-2,5-dioxoimidazolidin-1-yl)-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]acetamide
CID 24581577
1-(3,4-dimethylphenyl)sulfonyl-3-(4-phenylbutanoyl)imidazol-2-one
CID 8594036
(7S,9aR)-7-benzyl-2-naphthalen-2-ylsulfonyl-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
CID 56856235
(3R)-3-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-1-(2-phenylethyl)pyrrolidine-2,5-dione
CID 2417285
N-[(1-benzylpiperidin-4-yl)methyl]-3,4-dimethylbenzenesulfonamide
CID 16887788

Frequently Asked Questions

What is the IUPAC name of (5S)-5-benzyl-3-(3,4-dimethylphenyl)sulfonylimidazolidine-2,4-dione?
The IUPAC name of (5S)-5-benzyl-3-(3,4-dimethylphenyl)sulfonylimidazolidine-2,4-dione (CID 139711441) is (5S)-5-benzyl-3-(3,4-dimethylphenyl)sulfonylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-benzyl-3-(3,4-dimethylphenyl)sulfonylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-benzyl-3-(3,4-dimethylphenyl)sulfonylimidazolidine-2,4-dione is Cc1ccc(S(=O)(=O)N2C(=O)N[C@@H](Cc3ccccc3)C2=O)cc1C.
What is the InChIKey of (5S)-5-benzyl-3-(3,4-dimethylphenyl)sulfonylimidazolidine-2,4-dione?
The InChIKey is FVABSWZHYQHQRJ-INIZCTEOSA-N. The full InChI is InChI=1S/C18H18N2O4S/c1-12-8-9-15(10-13(12)2)25(23,24)20-17(21)16(19-18(20)22)11-14-6-4-3-5-7-14/h3-10,16H,11H2,1-2H3,(H,19,22)/t16-/m0/s1.
What are the key properties of (5S)-5-benzyl-3-(3,4-dimethylphenyl)sulfonylimidazolidine-2,4-dione?
(5S)-5-benzyl-3-(3,4-dimethylphenyl)sulfonylimidazolidine-2,4-dione has a molecular weight of 358.42 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-benzyl-3-(3,4-dimethylphenyl)sulfonylimidazolidine-2,4-dione is sourced from PubChem (CID 139711441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).