3-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-5-ethyl-5-phenylimidazolidine-2,4-dione

C23H26N4O5S — CID 4968846

IUPAC3-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-5-ethyl-5-phenylimidazolidine-2,4-dione
SMILESCCC1(c2ccccc2)NC(=O)N(CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1=O
InChIInChI=1S/C23H26N4O5S/c1-2-23(18-9-5-3-6-10-18)21(29)27(22(30)24-23)17-20(28)25-13-15-26(16-14-25)33(31,32)19-11-7-4-8-12-19/h3-12H,2,13-17H2,1H3,(H,24,30)
InChIKeyBOPARGRBWFNHIG-UHFFFAOYSA-N
MW470.55 g/mol
LogP1.38
Rot. Bonds6

About 3-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-5-ethyl-5-phenylimidazolidine-2,4-dione

3-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-5-ethyl-5-phenylimidazolidine-2,4-dione (PubChem CID 4968846) has the molecular formula C23H26N4O5S and a molecular weight of 470.55 g/mol. Its IUPAC name is 3-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-5-ethyl-5-phenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-5-ethyl-5-phenylimidazolidine-2,4-dione
PubChem CID4968846
Molecular FormulaC23H26N4O5S
Molecular Weight470.55 g/mol
Exact Mass470.16
IUPAC Name3-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-5-ethyl-5-phenylimidazolidine-2,4-dione
SMILESCCC1(c2ccccc2)NC(=O)N(CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1=O
InChIInChI=1S/C23H26N4O5S/c1-2-23(18-9-5-3-6-10-18)21(29)27(22(30)24-23)17-20(28)25-13-15-26(16-14-25)33(31,32)19-11-7-4-8-12-19/h3-12H,2,13-17H2,1H3,(H,24,30)
InChIKeyBOPARGRBWFNHIG-UHFFFAOYSA-N
XLogP1.38
TPSA107.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.55
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-5-ethyl-5-phenylimidazolidine-2,4-dione?
The IUPAC name of 3-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-5-ethyl-5-phenylimidazolidine-2,4-dione (CID 4968846) is 3-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-5-ethyl-5-phenylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-5-ethyl-5-phenylimidazolidine-2,4-dione?
The canonical SMILES for 3-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-5-ethyl-5-phenylimidazolidine-2,4-dione is CCC1(c2ccccc2)NC(=O)N(CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1=O.
What is the InChIKey of 3-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-5-ethyl-5-phenylimidazolidine-2,4-dione?
The InChIKey is BOPARGRBWFNHIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O5S/c1-2-23(18-9-5-3-6-10-18)21(29)27(22(30)24-23)17-20(28)25-13-15-26(16-14-25)33(31,32)19-11-7-4-8-12-19/h3-12H,2,13-17H2,1H3,(H,24,30).
What are the key properties of 3-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-5-ethyl-5-phenylimidazolidine-2,4-dione?
3-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-5-ethyl-5-phenylimidazolidine-2,4-dione has a molecular weight of 470.55 g/mol, XLogP of 1.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-5-ethyl-5-phenylimidazolidine-2,4-dione is sourced from PubChem (CID 4968846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).