5-methyl-3-[2-oxo-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]ethyl]-5-thiophen-2-ylimidazolidine-2,4-dione

C22H24N4O5S2 — CID 55480586

IUPAC5-methyl-3-[2-oxo-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]ethyl]-5-thiophen-2-ylimidazolidine-2,4-dione
SMILESCC1(c2cccs2)NC(=O)N(CC(=O)N2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)C1=O
InChIInChI=1S/C22H24N4O5S2/c1-22(18-8-5-14-32-18)20(28)26(21(29)23-22)16-19(27)24-10-12-25(13-11-24)33(30,31)15-9-17-6-3-2-4-7-17/h2-9,14-15H,10-13,16H2,1H3,(H,23,29)/b15-9+
InChIKeyPPFFMVNIIUMZSW-OQLLNIDSSA-N
MW488.59 g/mol
LogP1.66
Rot. Bonds6

About 5-methyl-3-[2-oxo-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]ethyl]-5-thiophen-2-ylimidazolidine-2,4-dione

5-methyl-3-[2-oxo-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]ethyl]-5-thiophen-2-ylimidazolidine-2,4-dione (PubChem CID 55480586) has the molecular formula C22H24N4O5S2 and a molecular weight of 488.59 g/mol. Its IUPAC name is 5-methyl-3-[2-oxo-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]ethyl]-5-thiophen-2-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-methyl-3-[2-oxo-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]ethyl]-5-thiophen-2-ylimidazolidine-2,4-dione
PubChem CID55480586
Molecular FormulaC22H24N4O5S2
Molecular Weight488.59 g/mol
Exact Mass488.12
IUPAC Name5-methyl-3-[2-oxo-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]ethyl]-5-thiophen-2-ylimidazolidine-2,4-dione
SMILESCC1(c2cccs2)NC(=O)N(CC(=O)N2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)C1=O
InChIInChI=1S/C22H24N4O5S2/c1-22(18-8-5-14-32-18)20(28)26(21(29)23-22)16-19(27)24-10-12-25(13-11-24)33(30,31)15-9-17-6-3-2-4-7-17/h2-9,14-15H,10-13,16H2,1H3,(H,23,29)/b15-9+
InChIKeyPPFFMVNIIUMZSW-OQLLNIDSSA-N
XLogP1.66
TPSA107.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.59
LogP ≤ 51.66
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

5-methyl-3-[2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-2-oxoethyl]-5-thiophen-2-ylimidazolidine-2,4-dione
CID 75884137
(5S)-3-(3,3-dimethyl-2-oxobutyl)-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione
CID 92582836
1-[4-(2-phenylethenylsulfonyl)piperazin-1-yl]-4-thiophen-2-ylbutane-1,4-dione
CID 78780092
2-methyl-5-[4-[2-(4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl)acetyl]piperazin-1-yl]-1,3-oxazole-4-carbonitrile
CID 55733934
3-[2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 43012490
5-methyl-3-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-5-thiophen-2-ylimidazolidine-2,4-dione
CID 51288588
(5S)-3-benzyl-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione
CID 51592541
(5S)-3-[2-(2-fluorophenyl)-2-oxoethyl]-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione
CID 41074060
2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-1-piperidin-1-ylethanone
CID 8748884
(5S)-3-ethyl-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione
CID 92591093
5-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-5-phenylimidazolidine-2,4-dione
CID 3874337
2-ethoxy-1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]ethanone
CID 9496780

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[2-oxo-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]ethyl]-5-thiophen-2-ylimidazolidine-2,4-dione?
The IUPAC name of 5-methyl-3-[2-oxo-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]ethyl]-5-thiophen-2-ylimidazolidine-2,4-dione (CID 55480586) is 5-methyl-3-[2-oxo-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]ethyl]-5-thiophen-2-ylimidazolidine-2,4-dione.
What is the SMILES notation for 5-methyl-3-[2-oxo-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]ethyl]-5-thiophen-2-ylimidazolidine-2,4-dione?
The canonical SMILES for 5-methyl-3-[2-oxo-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]ethyl]-5-thiophen-2-ylimidazolidine-2,4-dione is CC1(c2cccs2)NC(=O)N(CC(=O)N2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)C1=O.
What is the InChIKey of 5-methyl-3-[2-oxo-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]ethyl]-5-thiophen-2-ylimidazolidine-2,4-dione?
The InChIKey is PPFFMVNIIUMZSW-OQLLNIDSSA-N. The full InChI is InChI=1S/C22H24N4O5S2/c1-22(18-8-5-14-32-18)20(28)26(21(29)23-22)16-19(27)24-10-12-25(13-11-24)33(30,31)15-9-17-6-3-2-4-7-17/h2-9,14-15H,10-13,16H2,1H3,(H,23,29)/b15-9+.
What are the key properties of 5-methyl-3-[2-oxo-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]ethyl]-5-thiophen-2-ylimidazolidine-2,4-dione?
5-methyl-3-[2-oxo-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]ethyl]-5-thiophen-2-ylimidazolidine-2,4-dione has a molecular weight of 488.59 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[2-oxo-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]ethyl]-5-thiophen-2-ylimidazolidine-2,4-dione is sourced from PubChem (CID 55480586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).