(5R)-3-[2-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione

C21H26N4O6S — CID 41197745

IUPAC(5R)-3-[2-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione
SMILESCC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)CN3C(=O)N[C@](C)(C4CC4)C3=O)CC2)cc1
InChIInChI=1S/C21H26N4O6S/c1-14(26)15-3-7-17(8-4-15)32(30,31)24-11-9-23(10-12-24)18(27)13-25-19(28)21(2,16-5-6-16)22-20(25)29/h3-4,7-8,16H,5-6,9-13H2,1-2H3,(H,22,29)/t21-/m1/s1
InChIKeyNCUQNZBPZMYVEL-OAQYLSRUSA-N
MW462.53 g/mol
LogP0.44
Rot. Bonds6

About (5R)-3-[2-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione

(5R)-3-[2-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione (PubChem CID 41197745) has the molecular formula C21H26N4O6S and a molecular weight of 462.53 g/mol. Its IUPAC name is (5R)-3-[2-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-3-[2-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione
PubChem CID41197745
Molecular FormulaC21H26N4O6S
Molecular Weight462.53 g/mol
Exact Mass462.16
IUPAC Name(5R)-3-[2-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione
SMILESCC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)CN3C(=O)N[C@](C)(C4CC4)C3=O)CC2)cc1
InChIInChI=1S/C21H26N4O6S/c1-14(26)15-3-7-17(8-4-15)32(30,31)24-11-9-23(10-12-24)18(27)13-25-19(28)21(2,16-5-6-16)22-20(25)29/h3-4,7-8,16H,5-6,9-13H2,1-2H3,(H,22,29)/t21-/m1/s1
InChIKeyNCUQNZBPZMYVEL-OAQYLSRUSA-N
XLogP0.44
TPSA124.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.53
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[2-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione
CID 24542042
(5S)-5-cyclopropyl-3-[2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 41208281
3-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione
CID 24542027
(5S)-3-[[4-(benzenesulfonyl)piperazin-1-ium-1-yl]methyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione
CID 9235330
(5S)-5-cyclopropyl-3-[2-(4-methoxypiperidin-1-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 94512474
3-[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 2086674
5-cyclopropyl-5-methyl-3-[2-oxo-2-(4-pyrazin-2-ylpiperazin-1-yl)ethyl]imidazolidine-2,4-dione
CID 18154885
5-cyclopropyl-3-[2-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 86903510
5-cyclopropyl-3-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione;hydrochloride
CID 119644656
5-cyclopropyl-5-methyl-3-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]imidazolidine-2,4-dione
CID 78790835
(5S)-5-cyclopropyl-3-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]methyl]-5-methylimidazolidine-2,4-dione
CID 9451238
2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
CID 41102906

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[2-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione?
The IUPAC name of (5R)-3-[2-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione (CID 41197745) is (5R)-3-[2-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5R)-3-[2-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione?
The canonical SMILES for (5R)-3-[2-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione is CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)CN3C(=O)N[C@](C)(C4CC4)C3=O)CC2)cc1.
What is the InChIKey of (5R)-3-[2-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione?
The InChIKey is NCUQNZBPZMYVEL-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H26N4O6S/c1-14(26)15-3-7-17(8-4-15)32(30,31)24-11-9-23(10-12-24)18(27)13-25-19(28)21(2,16-5-6-16)22-20(25)29/h3-4,7-8,16H,5-6,9-13H2,1-2H3,(H,22,29)/t21-/m1/s1.
What are the key properties of (5R)-3-[2-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione?
(5R)-3-[2-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione has a molecular weight of 462.53 g/mol, XLogP of 0.44, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[2-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 41197745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).