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

C19H19N3O5S — CID 155532792

IUPAC4-[4-methyl-1-[2-(4-methylphenyl)-2-oxoethyl]-2,5-dioxoimidazolidin-4-yl]benzenesulfonamide
SMILESCc1ccc(C(=O)CN2C(=O)NC(C)(c3ccc(S(N)(=O)=O)cc3)C2=O)cc1
InChIInChI=1S/C19H19N3O5S/c1-12-3-5-13(6-4-12)16(23)11-22-17(24)19(2,21-18(22)25)14-7-9-15(10-8-14)28(20,26)27/h3-10H,11H2,1-2H3,(H,21,25)(H2,20,26,27)
InChIKeyFJCOZEADGPPHHN-UHFFFAOYSA-N
MW401.44 g/mol
LogP1.29
Rot. Bonds5

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

4-[4-methyl-1-[2-(4-methylphenyl)-2-oxoethyl]-2,5-dioxoimidazolidin-4-yl]benzenesulfonamide (PubChem CID 155532792) has the molecular formula C19H19N3O5S and a molecular weight of 401.44 g/mol. Its IUPAC name is 4-[4-methyl-1-[2-(4-methylphenyl)-2-oxoethyl]-2,5-dioxoimidazolidin-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[4-methyl-1-[2-(4-methylphenyl)-2-oxoethyl]-2,5-dioxoimidazolidin-4-yl]benzenesulfonamide
PubChem CID155532792
Molecular FormulaC19H19N3O5S
Molecular Weight401.44 g/mol
Exact Mass401.10
IUPAC Name4-[4-methyl-1-[2-(4-methylphenyl)-2-oxoethyl]-2,5-dioxoimidazolidin-4-yl]benzenesulfonamide
SMILESCc1ccc(C(=O)CN2C(=O)NC(C)(c3ccc(S(N)(=O)=O)cc3)C2=O)cc1
InChIInChI=1S/C19H19N3O5S/c1-12-3-5-13(6-4-12)16(23)11-22-17(24)19(2,21-18(22)25)14-7-9-15(10-8-14)28(20,26)27/h3-10H,11H2,1-2H3,(H,21,25)(H2,20,26,27)
InChIKeyFJCOZEADGPPHHN-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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Related Compounds

(5R)-5-methyl-5-(4-methylphenyl)-3-phenacylimidazolidine-2,4-dione
CID 2711028
(5S)-3-[2-(4-tert-butylphenyl)-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 7178166
5-methyl-3-[2-(4-methylphenyl)-2-oxoethyl]-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione
CID 60583030
4-[1-[2-(3-cyanophenyl)-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzenesulfonamide
CID 155535854
N-[4-[2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]phenyl]propanamide
CID 7178363
N-[4-[2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]phenyl]propanamide
CID 7178360
5-(3,4-difluorophenyl)-5-methyl-3-[2-(4-methylphenyl)-2-oxoethyl]imidazolidine-2,4-dione
CID 24523461
4-[1-(2-cyclopropyl-2-oxoethyl)-4-methyl-2,5-dioxoimidazolidin-4-yl]benzenesulfonamide
CID 155527664
(5S)-5-methyl-5-(4-methylphenyl)-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]imidazolidine-2,4-dione
CID 7178281
(5R)-3-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 7546173
2-[(4R)-4-(4-tert-butylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-sulfamoylphenyl)acetamide
CID 2087406
(5R)-3-[2-(4-chlorophenyl)-2-oxoethyl]-5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione
CID 40895044

Frequently Asked Questions

What is the IUPAC name of 4-[4-methyl-1-[2-(4-methylphenyl)-2-oxoethyl]-2,5-dioxoimidazolidin-4-yl]benzenesulfonamide?
The IUPAC name of 4-[4-methyl-1-[2-(4-methylphenyl)-2-oxoethyl]-2,5-dioxoimidazolidin-4-yl]benzenesulfonamide (CID 155532792) is 4-[4-methyl-1-[2-(4-methylphenyl)-2-oxoethyl]-2,5-dioxoimidazolidin-4-yl]benzenesulfonamide.
What is the SMILES notation for 4-[4-methyl-1-[2-(4-methylphenyl)-2-oxoethyl]-2,5-dioxoimidazolidin-4-yl]benzenesulfonamide?
The canonical SMILES for 4-[4-methyl-1-[2-(4-methylphenyl)-2-oxoethyl]-2,5-dioxoimidazolidin-4-yl]benzenesulfonamide is Cc1ccc(C(=O)CN2C(=O)NC(C)(c3ccc(S(N)(=O)=O)cc3)C2=O)cc1.
What is the InChIKey of 4-[4-methyl-1-[2-(4-methylphenyl)-2-oxoethyl]-2,5-dioxoimidazolidin-4-yl]benzenesulfonamide?
The InChIKey is FJCOZEADGPPHHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O5S/c1-12-3-5-13(6-4-12)16(23)11-22-17(24)19(2,21-18(22)25)14-7-9-15(10-8-14)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-(4-methylphenyl)-2-oxoethyl]-2,5-dioxoimidazolidin-4-yl]benzenesulfonamide?
4-[4-methyl-1-[2-(4-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-(4-methylphenyl)-2-oxoethyl]-2,5-dioxoimidazolidin-4-yl]benzenesulfonamide is sourced from PubChem (CID 155532792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).