4-[4-methyl-1-[2-(3-methylphenyl)-2-oxoethyl]-2,5-dioxoimidazolidin-4-yl]benzenesulfonamide

C19H19N3O5S — CID 155523529

IUPAC4-[4-methyl-1-[2-(3-methylphenyl)-2-oxoethyl]-2,5-dioxoimidazolidin-4-yl]benzenesulfonamide
SMILESCc1cccc(C(=O)CN2C(=O)NC(C)(c3ccc(S(N)(=O)=O)cc3)C2=O)c1
InChIInChI=1S/C19H19N3O5S/c1-12-4-3-5-13(10-12)16(23)11-22-17(24)19(2,21-18(22)25)14-6-8-15(9-7-14)28(20,26)27/h3-10H,11H2,1-2H3,(H,21,25)(H2,20,26,27)
InChIKeyGPQREXWEGIARKV-UHFFFAOYSA-N
MW401.44 g/mol
LogP1.29
Rot. Bonds5

About 4-[4-methyl-1-[2-(3-methylphenyl)-2-oxoethyl]-2,5-dioxoimidazolidin-4-yl]benzenesulfonamide

4-[4-methyl-1-[2-(3-methylphenyl)-2-oxoethyl]-2,5-dioxoimidazolidin-4-yl]benzenesulfonamide (PubChem CID 155523529) has the molecular formula C19H19N3O5S and a molecular weight of 401.44 g/mol. Its IUPAC name is 4-[4-methyl-1-[2-(3-methylphenyl)-2-oxoethyl]-2,5-dioxoimidazolidin-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[4-methyl-1-[2-(3-methylphenyl)-2-oxoethyl]-2,5-dioxoimidazolidin-4-yl]benzenesulfonamide
PubChem CID155523529
Molecular FormulaC19H19N3O5S
Molecular Weight401.44 g/mol
Exact Mass401.10
IUPAC Name4-[4-methyl-1-[2-(3-methylphenyl)-2-oxoethyl]-2,5-dioxoimidazolidin-4-yl]benzenesulfonamide
SMILESCc1cccc(C(=O)CN2C(=O)NC(C)(c3ccc(S(N)(=O)=O)cc3)C2=O)c1
InChIInChI=1S/C19H19N3O5S/c1-12-4-3-5-13(10-12)16(23)11-22-17(24)19(2,21-18(22)25)14-6-8-15(9-7-14)28(20,26)27/h3-10H,11H2,1-2H3,(H,21,25)(H2,20,26,27)
InChIKeyGPQREXWEGIARKV-UHFFFAOYSA-N
XLogP1.29
TPSA126.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.44
LogP ≤ 51.29
H-Bond Donors ≤ 52
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 4-[4-methyl-1-[2-(3-methylphenyl)-2-oxoethyl]-2,5-dioxoimidazolidin-4-yl]benzenesulfonamide?
The IUPAC name of 4-[4-methyl-1-[2-(3-methylphenyl)-2-oxoethyl]-2,5-dioxoimidazolidin-4-yl]benzenesulfonamide (CID 155523529) is 4-[4-methyl-1-[2-(3-methylphenyl)-2-oxoethyl]-2,5-dioxoimidazolidin-4-yl]benzenesulfonamide.
What is the SMILES notation for 4-[4-methyl-1-[2-(3-methylphenyl)-2-oxoethyl]-2,5-dioxoimidazolidin-4-yl]benzenesulfonamide?
The canonical SMILES for 4-[4-methyl-1-[2-(3-methylphenyl)-2-oxoethyl]-2,5-dioxoimidazolidin-4-yl]benzenesulfonamide is Cc1cccc(C(=O)CN2C(=O)NC(C)(c3ccc(S(N)(=O)=O)cc3)C2=O)c1.
What is the InChIKey of 4-[4-methyl-1-[2-(3-methylphenyl)-2-oxoethyl]-2,5-dioxoimidazolidin-4-yl]benzenesulfonamide?
The InChIKey is GPQREXWEGIARKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O5S/c1-12-4-3-5-13(10-12)16(23)11-22-17(24)19(2,21-18(22)25)14-6-8-15(9-7-14)28(20,26)27/h3-10H,11H2,1-2H3,(H,21,25)(H2,20,26,27).
What are the key properties of 4-[4-methyl-1-[2-(3-methylphenyl)-2-oxoethyl]-2,5-dioxoimidazolidin-4-yl]benzenesulfonamide?
4-[4-methyl-1-[2-(3-methylphenyl)-2-oxoethyl]-2,5-dioxoimidazolidin-4-yl]benzenesulfonamide has a molecular weight of 401.44 g/mol, XLogP of 1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-methyl-1-[2-(3-methylphenyl)-2-oxoethyl]-2,5-dioxoimidazolidin-4-yl]benzenesulfonamide is sourced from PubChem (CID 155523529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).