4-(4-methyl-2,5-dioxo-1-phenacylimidazolidin-4-yl)benzenesulfonamide

C18H17N3O5S — CID 155532814

IUPAC4-(4-methyl-2,5-dioxo-1-phenacylimidazolidin-4-yl)benzenesulfonamide
SMILESCC1(c2ccc(S(N)(=O)=O)cc2)NC(=O)N(CC(=O)c2ccccc2)C1=O
InChIInChI=1S/C18H17N3O5S/c1-18(13-7-9-14(10-8-13)27(19,25)26)16(23)21(17(24)20-18)11-15(22)12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H,20,24)(H2,19,25,26)
InChIKeyFNEIPUDBAAQDAU-UHFFFAOYSA-N
MW387.42 g/mol
LogP0.98
Rot. Bonds5

About 4-(4-methyl-2,5-dioxo-1-phenacylimidazolidin-4-yl)benzenesulfonamide

4-(4-methyl-2,5-dioxo-1-phenacylimidazolidin-4-yl)benzenesulfonamide (PubChem CID 155532814) has the molecular formula C18H17N3O5S and a molecular weight of 387.42 g/mol. Its IUPAC name is 4-(4-methyl-2,5-dioxo-1-phenacylimidazolidin-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(4-methyl-2,5-dioxo-1-phenacylimidazolidin-4-yl)benzenesulfonamide
PubChem CID155532814
Molecular FormulaC18H17N3O5S
Molecular Weight387.42 g/mol
Exact Mass387.09
IUPAC Name4-(4-methyl-2,5-dioxo-1-phenacylimidazolidin-4-yl)benzenesulfonamide
SMILESCC1(c2ccc(S(N)(=O)=O)cc2)NC(=O)N(CC(=O)c2ccccc2)C1=O
InChIInChI=1S/C18H17N3O5S/c1-18(13-7-9-14(10-8-13)27(19,25)26)16(23)21(17(24)20-18)11-15(22)12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H,20,24)(H2,19,25,26)
InChIKeyFNEIPUDBAAQDAU-UHFFFAOYSA-N
XLogP0.98
TPSA126.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.42
LogP ≤ 50.98
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

PC-796
CID 88892
2-(7-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 155549031
2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 155555878
3-[2-(4-Ethylphenyl)-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 4790937
(R)-2-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)-N-(1-phenylethyl)acetamide
CID 674949
2-(1,3-dioxoisoindolin-2-yl)-N-(4-sulfamoylphenethyl)acetamide
CID 1147802
2-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)-N-(1-methyl-2-phenylethyl)acetamide
CID 2938178
1-Benzoyl-2-isopropyl-3-[(4-methylphenyl)sulfonyl]imidazolidine
CID 3243698
N-(2-phenylethyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 4797888
5-Methyl-3-[1-(4-methylphenyl)-1-oxopropan-2-yl]-5-phenylimidazolidine-2,4-dione
CID 4875421
N-[2-(dimethylamino)-3-phenylpropyl]-4-(dimethylsulfamoyl)benzamide
CID 4876888
3-[2-[4-(Benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-5-ethyl-5-phenylimidazolidine-2,4-dione
CID 4968846

Frequently Asked Questions

What is the IUPAC name of 4-(4-methyl-2,5-dioxo-1-phenacylimidazolidin-4-yl)benzenesulfonamide?
The IUPAC name of 4-(4-methyl-2,5-dioxo-1-phenacylimidazolidin-4-yl)benzenesulfonamide (CID 155532814) is 4-(4-methyl-2,5-dioxo-1-phenacylimidazolidin-4-yl)benzenesulfonamide.
What is the SMILES notation for 4-(4-methyl-2,5-dioxo-1-phenacylimidazolidin-4-yl)benzenesulfonamide?
The canonical SMILES for 4-(4-methyl-2,5-dioxo-1-phenacylimidazolidin-4-yl)benzenesulfonamide is CC1(c2ccc(S(N)(=O)=O)cc2)NC(=O)N(CC(=O)c2ccccc2)C1=O.
What is the InChIKey of 4-(4-methyl-2,5-dioxo-1-phenacylimidazolidin-4-yl)benzenesulfonamide?
The InChIKey is FNEIPUDBAAQDAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O5S/c1-18(13-7-9-14(10-8-13)27(19,25)26)16(23)21(17(24)20-18)11-15(22)12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H,20,24)(H2,19,25,26).
What are the key properties of 4-(4-methyl-2,5-dioxo-1-phenacylimidazolidin-4-yl)benzenesulfonamide?
4-(4-methyl-2,5-dioxo-1-phenacylimidazolidin-4-yl)benzenesulfonamide has a molecular weight of 387.42 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methyl-2,5-dioxo-1-phenacylimidazolidin-4-yl)benzenesulfonamide is sourced from PubChem (CID 155532814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).