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

C19H23BrN4O5S — CID 24542042

IUPAC3-[2-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione
SMILESCC1(C2CC2)NC(=O)N(CC(=O)N2CCN(S(=O)(=O)c3cccc(Br)c3)CC2)C1=O
InChIInChI=1S/C19H23BrN4O5S/c1-19(13-5-6-13)17(26)24(18(27)21-19)12-16(25)22-7-9-23(10-8-22)30(28,29)15-4-2-3-14(20)11-15/h2-4,11,13H,5-10,12H2,1H3,(H,21,27)
InChIKeyMNMFTABHHAVLTB-UHFFFAOYSA-N
MW499.39 g/mol
LogP1.00
Rot. Bonds5

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

3-[2-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione (PubChem CID 24542042) has the molecular formula C19H23BrN4O5S and a molecular weight of 499.39 g/mol. Its IUPAC name is 3-[2-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione
PubChem CID24542042
Molecular FormulaC19H23BrN4O5S
Molecular Weight499.39 g/mol
Exact Mass498.06
IUPAC Name3-[2-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione
SMILESCC1(C2CC2)NC(=O)N(CC(=O)N2CCN(S(=O)(=O)c3cccc(Br)c3)CC2)C1=O
InChIInChI=1S/C19H23BrN4O5S/c1-19(13-5-6-13)17(26)24(18(27)21-19)12-16(25)22-7-9-23(10-8-22)30(28,29)15-4-2-3-14(20)11-15/h2-4,11,13H,5-10,12H2,1H3,(H,21,27)
InChIKeyMNMFTABHHAVLTB-UHFFFAOYSA-N
XLogP1.00
TPSA107.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.39
LogP ≤ 51.00
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

(5R)-3-[2-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione
CID 41197745
(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
2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
CID 41102906
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
3-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 42909139
5-cyclopropyl-3-[2-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 86903510
3-[2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 22108936
N-[2-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]cyclopropanecarboxamide
CID 55634596
2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-1-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]ethanone
CID 26559319
5-cyclopropyl-5-methyl-3-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]imidazolidine-2,4-dione
CID 78790835
N-(4-bromo-3-pyrrolidin-1-ylsulfonylphenyl)-2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 155560182

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione?
The IUPAC name of 3-[2-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione (CID 24542042) is 3-[2-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 3-[2-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione is CC1(C2CC2)NC(=O)N(CC(=O)N2CCN(S(=O)(=O)c3cccc(Br)c3)CC2)C1=O.
What is the InChIKey of 3-[2-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione?
The InChIKey is MNMFTABHHAVLTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrN4O5S/c1-19(13-5-6-13)17(26)24(18(27)21-19)12-16(25)22-7-9-23(10-8-22)30(28,29)15-4-2-3-14(20)11-15/h2-4,11,13H,5-10,12H2,1H3,(H,21,27).
What are the key properties of 3-[2-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione?
3-[2-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione has a molecular weight of 499.39 g/mol, XLogP of 1.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 24542042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).