5-methyl-3-[3-(3-methylphenyl)sulfonylpropyl]-5-pyridin-2-ylimidazolidine-2,4-dione

C19H21N3O4S — CID 139004992

IUPAC5-methyl-3-[3-(3-methylphenyl)sulfonylpropyl]-5-pyridin-2-ylimidazolidine-2,4-dione
SMILESCc1cccc(S(=O)(=O)CCCN2C(=O)NC(C)(c3ccccn3)C2=O)c1
InChIInChI=1S/C19H21N3O4S/c1-14-7-5-8-15(13-14)27(25,26)12-6-11-22-17(23)19(2,21-18(22)24)16-9-3-4-10-20-16/h3-5,7-10,13H,6,11-12H2,1-2H3,(H,21,24)
InChIKeyWBWNICQVZIRPAB-UHFFFAOYSA-N
MW387.46 g/mol
LogP2.02
Rot. Bonds6

About 5-methyl-3-[3-(3-methylphenyl)sulfonylpropyl]-5-pyridin-2-ylimidazolidine-2,4-dione

5-methyl-3-[3-(3-methylphenyl)sulfonylpropyl]-5-pyridin-2-ylimidazolidine-2,4-dione (PubChem CID 139004992) has the molecular formula C19H21N3O4S and a molecular weight of 387.46 g/mol. Its IUPAC name is 5-methyl-3-[3-(3-methylphenyl)sulfonylpropyl]-5-pyridin-2-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-methyl-3-[3-(3-methylphenyl)sulfonylpropyl]-5-pyridin-2-ylimidazolidine-2,4-dione
PubChem CID139004992
Molecular FormulaC19H21N3O4S
Molecular Weight387.46 g/mol
Exact Mass387.13
IUPAC Name5-methyl-3-[3-(3-methylphenyl)sulfonylpropyl]-5-pyridin-2-ylimidazolidine-2,4-dione
SMILESCc1cccc(S(=O)(=O)CCCN2C(=O)NC(C)(c3ccccn3)C2=O)c1
InChIInChI=1S/C19H21N3O4S/c1-14-7-5-8-15(13-14)27(25,26)12-6-11-22-17(23)19(2,21-18(22)24)16-9-3-4-10-20-16/h3-5,7-10,13H,6,11-12H2,1-2H3,(H,21,24)
InChIKeyWBWNICQVZIRPAB-UHFFFAOYSA-N
XLogP2.02
TPSA96.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 52.02
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 5-methyl-3-[3-(3-methylphenyl)sulfonylpropyl]-5-pyridin-2-ylimidazolidine-2,4-dione?
The IUPAC name of 5-methyl-3-[3-(3-methylphenyl)sulfonylpropyl]-5-pyridin-2-ylimidazolidine-2,4-dione (CID 139004992) is 5-methyl-3-[3-(3-methylphenyl)sulfonylpropyl]-5-pyridin-2-ylimidazolidine-2,4-dione.
What is the SMILES notation for 5-methyl-3-[3-(3-methylphenyl)sulfonylpropyl]-5-pyridin-2-ylimidazolidine-2,4-dione?
The canonical SMILES for 5-methyl-3-[3-(3-methylphenyl)sulfonylpropyl]-5-pyridin-2-ylimidazolidine-2,4-dione is Cc1cccc(S(=O)(=O)CCCN2C(=O)NC(C)(c3ccccn3)C2=O)c1.
What is the InChIKey of 5-methyl-3-[3-(3-methylphenyl)sulfonylpropyl]-5-pyridin-2-ylimidazolidine-2,4-dione?
The InChIKey is WBWNICQVZIRPAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4S/c1-14-7-5-8-15(13-14)27(25,26)12-6-11-22-17(23)19(2,21-18(22)24)16-9-3-4-10-20-16/h3-5,7-10,13H,6,11-12H2,1-2H3,(H,21,24).
What are the key properties of 5-methyl-3-[3-(3-methylphenyl)sulfonylpropyl]-5-pyridin-2-ylimidazolidine-2,4-dione?
5-methyl-3-[3-(3-methylphenyl)sulfonylpropyl]-5-pyridin-2-ylimidazolidine-2,4-dione has a molecular weight of 387.46 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[3-(3-methylphenyl)sulfonylpropyl]-5-pyridin-2-ylimidazolidine-2,4-dione is sourced from PubChem (CID 139004992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).