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

C19H26N4O5S — CID 4829968

IUPAC3-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-5-(2-methylpropyl)imidazolidine-2,4-dione
SMILESCC(C)CC1NC(=O)N(CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1=O
InChIInChI=1S/C19H26N4O5S/c1-14(2)12-16-18(25)23(19(26)20-16)13-17(24)21-8-10-22(11-9-21)29(27,28)15-6-4-3-5-7-15/h3-7,14,16H,8-13H2,1-2H3,(H,20,26)
InChIKeyOLNRMZCBQAARGR-UHFFFAOYSA-N
MW422.51 g/mol
LogP0.49
Rot. Bonds6

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

3-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-5-(2-methylpropyl)imidazolidine-2,4-dione (PubChem CID 4829968) has the molecular formula C19H26N4O5S and a molecular weight of 422.51 g/mol. Its IUPAC name is 3-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-5-(2-methylpropyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-5-(2-methylpropyl)imidazolidine-2,4-dione
PubChem CID4829968
Molecular FormulaC19H26N4O5S
Molecular Weight422.51 g/mol
Exact Mass422.16
IUPAC Name3-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-5-(2-methylpropyl)imidazolidine-2,4-dione
SMILESCC(C)CC1NC(=O)N(CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1=O
InChIInChI=1S/C19H26N4O5S/c1-14(2)12-16-18(25)23(19(26)20-16)13-17(24)21-8-10-22(11-9-21)29(27,28)15-6-4-3-5-7-15/h3-7,14,16H,8-13H2,1-2H3,(H,20,26)
InChIKeyOLNRMZCBQAARGR-UHFFFAOYSA-N
XLogP0.49
TPSA107.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.51
LogP ≤ 50.49
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-(2-methylpropyl)imidazolidine-2,4-dione?
The IUPAC name of 3-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-5-(2-methylpropyl)imidazolidine-2,4-dione (CID 4829968) is 3-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-5-(2-methylpropyl)imidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-5-(2-methylpropyl)imidazolidine-2,4-dione?
The canonical SMILES for 3-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-5-(2-methylpropyl)imidazolidine-2,4-dione is CC(C)CC1NC(=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-(2-methylpropyl)imidazolidine-2,4-dione?
The InChIKey is OLNRMZCBQAARGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O5S/c1-14(2)12-16-18(25)23(19(26)20-16)13-17(24)21-8-10-22(11-9-21)29(27,28)15-6-4-3-5-7-15/h3-7,14,16H,8-13H2,1-2H3,(H,20,26).
What are the key properties of 3-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-5-(2-methylpropyl)imidazolidine-2,4-dione?
3-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-5-(2-methylpropyl)imidazolidine-2,4-dione has a molecular weight of 422.51 g/mol, XLogP of 0.49, 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-(2-methylpropyl)imidazolidine-2,4-dione is sourced from PubChem (CID 4829968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).