5-methyl-3-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]-5-(4-propylphenyl)imidazolidine-2,4-dione

C20H28N4O5S — CID 18285720

IUPAC5-methyl-3-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]-5-(4-propylphenyl)imidazolidine-2,4-dione
SMILESCCCc1ccc(C2(C)NC(=O)N(CC(=O)N3CCN(S(C)(=O)=O)CC3)C2=O)cc1
InChIInChI=1S/C20H28N4O5S/c1-4-5-15-6-8-16(9-7-15)20(2)18(26)24(19(27)21-20)14-17(25)22-10-12-23(13-11-22)30(3,28)29/h6-9H,4-5,10-14H2,1-3H3,(H,21,27)
InChIKeyZPBMCQSJKCROCA-UHFFFAOYSA-N
MW436.53 g/mol
LogP0.51
Rot. Bonds6

About 5-methyl-3-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]-5-(4-propylphenyl)imidazolidine-2,4-dione

5-methyl-3-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]-5-(4-propylphenyl)imidazolidine-2,4-dione (PubChem CID 18285720) has the molecular formula C20H28N4O5S and a molecular weight of 436.53 g/mol. Its IUPAC name is 5-methyl-3-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]-5-(4-propylphenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-methyl-3-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]-5-(4-propylphenyl)imidazolidine-2,4-dione
PubChem CID18285720
Molecular FormulaC20H28N4O5S
Molecular Weight436.53 g/mol
Exact Mass436.18
IUPAC Name5-methyl-3-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]-5-(4-propylphenyl)imidazolidine-2,4-dione
SMILESCCCc1ccc(C2(C)NC(=O)N(CC(=O)N3CCN(S(C)(=O)=O)CC3)C2=O)cc1
InChIInChI=1S/C20H28N4O5S/c1-4-5-15-6-8-16(9-7-15)20(2)18(26)24(19(27)21-20)14-17(25)22-10-12-23(13-11-22)30(3,28)29/h6-9H,4-5,10-14H2,1-3H3,(H,21,27)
InChIKeyZPBMCQSJKCROCA-UHFFFAOYSA-N
XLogP0.51
TPSA107.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.53
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(4-ethylphenyl)-2-oxoethyl]-5-methyl-5-(4-propylphenyl)imidazolidine-2,4-dione
CID 46815454
3-[2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 43012490
3-[2-(azetidin-1-yl)-2-oxoethyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione
CID 51334274
2-[4-methyl-2,5-dioxo-4-(4-propylphenyl)imidazolidin-1-yl]-N-phenylacetamide
CID 17467243
N-(4-acetamidophenyl)-2-[4-methyl-2,5-dioxo-4-(4-propylphenyl)imidazolidin-1-yl]acetamide
CID 45356013
5-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-5-phenylimidazolidine-2,4-dione
CID 3874337
3-[2-(4-tert-butylphenyl)-2-oxoethyl]-5-methyl-5-(4-propylphenyl)imidazolidine-2,4-dione
CID 43029188
3-[2-(azocan-1-yl)-2-oxoethyl]-5-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione
CID 51215204
3-[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-methyl-5-(4-propylphenyl)imidazolidine-2,4-dione
CID 46669822
3-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 42909139
3-[2-(azetidin-1-yl)-2-oxoethyl]-5-methyl-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione
CID 43071602
5-methyl-3-[2-(4-methyl-1,4-diazepan-1-yl)-2-oxoethyl]-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 112791409

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]-5-(4-propylphenyl)imidazolidine-2,4-dione?
The IUPAC name of 5-methyl-3-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]-5-(4-propylphenyl)imidazolidine-2,4-dione (CID 18285720) is 5-methyl-3-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]-5-(4-propylphenyl)imidazolidine-2,4-dione.
What is the SMILES notation for 5-methyl-3-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]-5-(4-propylphenyl)imidazolidine-2,4-dione?
The canonical SMILES for 5-methyl-3-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]-5-(4-propylphenyl)imidazolidine-2,4-dione is CCCc1ccc(C2(C)NC(=O)N(CC(=O)N3CCN(S(C)(=O)=O)CC3)C2=O)cc1.
What is the InChIKey of 5-methyl-3-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]-5-(4-propylphenyl)imidazolidine-2,4-dione?
The InChIKey is ZPBMCQSJKCROCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O5S/c1-4-5-15-6-8-16(9-7-15)20(2)18(26)24(19(27)21-20)14-17(25)22-10-12-23(13-11-22)30(3,28)29/h6-9H,4-5,10-14H2,1-3H3,(H,21,27).
What are the key properties of 5-methyl-3-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]-5-(4-propylphenyl)imidazolidine-2,4-dione?
5-methyl-3-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]-5-(4-propylphenyl)imidazolidine-2,4-dione has a molecular weight of 436.53 g/mol, XLogP of 0.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]-5-(4-propylphenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 18285720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).