1-benzyl-3-[[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methyl]imidazolidine-2,4,5-trione

C23H24N4O5S — CID 6216931

IUPAC1-benzyl-3-[[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methyl]imidazolidine-2,4,5-trione
SMILESO=C1C(=O)N(CN2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C23H24N4O5S/c28-21-22(29)27(23(30)26(21)17-20-9-5-2-6-10-20)18-24-12-14-25(15-13-24)33(31,32)16-11-19-7-3-1-4-8-19/h1-11,16H,12-15,17-18H2/b16-11+
InChIKeyDGYCRODKRWPMBV-LFIBNONCSA-N
MW468.54 g/mol
LogP1.55
Rot. Bonds7

About 1-benzyl-3-[[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methyl]imidazolidine-2,4,5-trione

1-benzyl-3-[[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methyl]imidazolidine-2,4,5-trione (PubChem CID 6216931) has the molecular formula C23H24N4O5S and a molecular weight of 468.54 g/mol. Its IUPAC name is 1-benzyl-3-[[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methyl]imidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-benzyl-3-[[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methyl]imidazolidine-2,4,5-trione
PubChem CID6216931
Molecular FormulaC23H24N4O5S
Molecular Weight468.54 g/mol
Exact Mass468.15
IUPAC Name1-benzyl-3-[[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methyl]imidazolidine-2,4,5-trione
SMILESO=C1C(=O)N(CN2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C23H24N4O5S/c28-21-22(29)27(23(30)26(21)17-20-9-5-2-6-10-20)18-24-12-14-25(15-13-24)33(31,32)16-11-19-7-3-1-4-8-19/h1-11,16H,12-15,17-18H2/b16-11+
InChIKeyDGYCRODKRWPMBV-LFIBNONCSA-N
XLogP1.55
TPSA98.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.54
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-benzyl-3-[(4-phenylpiperazin-1-yl)methyl]imidazolidine-2,4,5-trione
CID 2575629
1-[(E)-2-phenylethenyl]sulfonylpyrrolidine
CID 18624669
1-[(2-chloro-6-fluorophenyl)methyl]-4-[(E)-2-phenylethenyl]sulfonylpiperazine
CID 8748784
(1R,2S,6S,7S)-4-[2-[4-[(Z)-2-phenylethenyl]sulfonylpiperazin-1-yl]ethyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 51663544
3-[[4-(2-phenylethenylsulfonyl)piperazin-1-yl]methyl]quinazolin-4-one
CID 4834365
1-[(4-fluorophenyl)methyl]-4-[[1-(2-phenylethenylsulfonyl)piperidin-4-yl]methyl]piperazine
CID 73048536
1-phenyl-4-(2-phenylethenylsulfonyl)piperazine
CID 877215
2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-1-piperidin-1-ylethanone
CID 8748884
1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]butan-2-ol
CID 111105700
1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-3-phenylmethoxypropan-2-ol
CID 6212489
(2S)-1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-3-phenylmethoxypropan-2-ol
CID 8761717
1-[2-(4-methoxyphenyl)ethyl]-4-[(E)-2-phenylethenyl]sulfonylpiperazine
CID 17486378

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methyl]imidazolidine-2,4,5-trione?
The IUPAC name of 1-benzyl-3-[[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methyl]imidazolidine-2,4,5-trione (CID 6216931) is 1-benzyl-3-[[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methyl]imidazolidine-2,4,5-trione.
What is the SMILES notation for 1-benzyl-3-[[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methyl]imidazolidine-2,4,5-trione?
The canonical SMILES for 1-benzyl-3-[[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methyl]imidazolidine-2,4,5-trione is O=C1C(=O)N(CN2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)C(=O)N1Cc1ccccc1.
What is the InChIKey of 1-benzyl-3-[[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methyl]imidazolidine-2,4,5-trione?
The InChIKey is DGYCRODKRWPMBV-LFIBNONCSA-N. The full InChI is InChI=1S/C23H24N4O5S/c28-21-22(29)27(23(30)26(21)17-20-9-5-2-6-10-20)18-24-12-14-25(15-13-24)33(31,32)16-11-19-7-3-1-4-8-19/h1-11,16H,12-15,17-18H2/b16-11+.
What are the key properties of 1-benzyl-3-[[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methyl]imidazolidine-2,4,5-trione?
1-benzyl-3-[[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methyl]imidazolidine-2,4,5-trione has a molecular weight of 468.54 g/mol, XLogP of 1.55, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methyl]imidazolidine-2,4,5-trione is sourced from PubChem (CID 6216931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).