3-[2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]sulfonyl-1-phenylimidazolidine-2,4-dione

C22H24N4O5S — CID 21472173

IUPAC3-[2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]sulfonyl-1-phenylimidazolidine-2,4-dione
SMILESCN1CCN(C(=O)Cc2ccccc2S(=O)(=O)N2C(=O)CN(c3ccccc3)C2=O)CC1
InChIInChI=1S/C22H24N4O5S/c1-23-11-13-24(14-12-23)20(27)15-17-7-5-6-10-19(17)32(30,31)26-21(28)16-25(22(26)29)18-8-3-2-4-9-18/h2-10H,11-16H2,1H3
InChIKeyWFYRGRVNZPSXGT-UHFFFAOYSA-N
MW456.52 g/mol
LogP1.16
Rot. Bonds5

About 3-[2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]sulfonyl-1-phenylimidazolidine-2,4-dione

3-[2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]sulfonyl-1-phenylimidazolidine-2,4-dione (PubChem CID 21472173) has the molecular formula C22H24N4O5S and a molecular weight of 456.52 g/mol. Its IUPAC name is 3-[2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]sulfonyl-1-phenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]sulfonyl-1-phenylimidazolidine-2,4-dione
PubChem CID21472173
Molecular FormulaC22H24N4O5S
Molecular Weight456.52 g/mol
Exact Mass456.15
IUPAC Name3-[2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]sulfonyl-1-phenylimidazolidine-2,4-dione
SMILESCN1CCN(C(=O)Cc2ccccc2S(=O)(=O)N2C(=O)CN(c3ccccc3)C2=O)CC1
InChIInChI=1S/C22H24N4O5S/c1-23-11-13-24(14-12-23)20(27)15-17-7-5-6-10-19(17)32(30,31)26-21(28)16-25(22(26)29)18-8-3-2-4-9-18/h2-10H,11-16H2,1H3
InChIKeyWFYRGRVNZPSXGT-UHFFFAOYSA-N
XLogP1.16
TPSA98.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.52
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[4-(2,5-dioxo-3-phenylimidazolidin-1-yl)sulfonylphenyl]acetate
CID 10620298
2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzoic acid
CID 66545464
2-[2-(aminomethyl)phenyl]-1-(4-methylpiperazin-1-yl)ethanone
CID 81318146
2-[4-(2,5-dioxo-3-phenylimidazolidin-1-yl)sulfonylphenoxy]acetic acid
CID 21472135
2-(2-aminophenyl)sulfonyl-1-(4-methylpiperazin-1-yl)ethanone
CID 61367606
prop-2-enyl 2-[4-(2,5-dioxo-3-phenylimidazolidin-1-yl)sulfonylphenyl]acetate
CID 21472170
2-[3-(2,5-dioxo-3-phenylimidazolidin-1-yl)sulfonylphenoxy]acetic acid
CID 21472181
prop-2-enyl 4-(2,5-dioxo-3-phenylimidazolidin-1-yl)sulfonylbenzoate
CID 10739742
N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-N-(2-phenylethyl)benzenesulfonamide
CID 45374408
1-(4-methylpiperazin-1-yl)-2-(4-methylsulfonylphenyl)ethanone
CID 110771273
3-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]-1-phenylimidazolidine-2,4-dione
CID 136577810
4-[2-(3-chlorophenyl)acetyl]-1-phenylpiperazin-2-one
CID 110708429

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]sulfonyl-1-phenylimidazolidine-2,4-dione?
The IUPAC name of 3-[2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]sulfonyl-1-phenylimidazolidine-2,4-dione (CID 21472173) is 3-[2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]sulfonyl-1-phenylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]sulfonyl-1-phenylimidazolidine-2,4-dione?
The canonical SMILES for 3-[2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]sulfonyl-1-phenylimidazolidine-2,4-dione is CN1CCN(C(=O)Cc2ccccc2S(=O)(=O)N2C(=O)CN(c3ccccc3)C2=O)CC1.
What is the InChIKey of 3-[2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]sulfonyl-1-phenylimidazolidine-2,4-dione?
The InChIKey is WFYRGRVNZPSXGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O5S/c1-23-11-13-24(14-12-23)20(27)15-17-7-5-6-10-19(17)32(30,31)26-21(28)16-25(22(26)29)18-8-3-2-4-9-18/h2-10H,11-16H2,1H3.
What are the key properties of 3-[2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]sulfonyl-1-phenylimidazolidine-2,4-dione?
3-[2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]sulfonyl-1-phenylimidazolidine-2,4-dione has a molecular weight of 456.52 g/mol, XLogP of 1.16, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]sulfonyl-1-phenylimidazolidine-2,4-dione is sourced from PubChem (CID 21472173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).