4-(ethylsulfamoyl)-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]benzamide

C21H24N4O5S — CID 55440908

IUPAC4-(ethylsulfamoyl)-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]benzamide
SMILESCCNS(=O)(=O)c1ccc(C(=O)NN2C(=O)NC(C)(CCc3ccccc3)C2=O)cc1
InChIInChI=1S/C21H24N4O5S/c1-3-22-31(29,30)17-11-9-16(10-12-17)18(26)24-25-19(27)21(2,23-20(25)28)14-13-15-7-5-4-6-8-15/h4-12,22H,3,13-14H2,1-2H3,(H,23,28)(H,24,26)
InChIKeyOTJQNPQINMCHLW-UHFFFAOYSA-N
MW444.51 g/mol
LogP1.57
Rot. Bonds8

About 4-(ethylsulfamoyl)-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]benzamide

4-(ethylsulfamoyl)-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]benzamide (PubChem CID 55440908) has the molecular formula C21H24N4O5S and a molecular weight of 444.51 g/mol. Its IUPAC name is 4-(ethylsulfamoyl)-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]benzamide.

Molecular Properties

Compound Name4-(ethylsulfamoyl)-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]benzamide
PubChem CID55440908
Molecular FormulaC21H24N4O5S
Molecular Weight444.51 g/mol
Exact Mass444.15
IUPAC Name4-(ethylsulfamoyl)-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]benzamide
SMILESCCNS(=O)(=O)c1ccc(C(=O)NN2C(=O)NC(C)(CCc3ccccc3)C2=O)cc1
InChIInChI=1S/C21H24N4O5S/c1-3-22-31(29,30)17-11-9-16(10-12-17)18(26)24-25-19(27)21(2,23-20(25)28)14-13-15-7-5-4-6-8-15/h4-12,22H,3,13-14H2,1-2H3,(H,23,28)(H,24,26)
InChIKeyOTJQNPQINMCHLW-UHFFFAOYSA-N
XLogP1.57
TPSA124.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.51
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]benzamide
CID 31435198
N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-4-pyrrol-1-ylbenzamide
CID 9266876
N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]pyridine-4-carboxamide
CID 31434970
N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-3-methylsulfonylbenzamide
CID 42920186
N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]butanamide
CID 136513403
N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-2,3-dihydro-1H-indene-5-carboxamide
CID 31435973
4-methyl-N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-3-piperidin-1-ylsulfonylbenzamide
CID 41209789
N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-3-pyrrol-1-ylbenzamide
CID 40972041
2,3-dimethyl-N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-1H-indole-5-carboxamide
CID 31341167
3-methyl-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]thiophene-2-carboxamide
CID 42920177
4-(ethylsulfamoyl)-N-(2-phenylethyl)benzamide
CID 51160983
4-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]benzamide
CID 41082917

Frequently Asked Questions

What is the IUPAC name of 4-(ethylsulfamoyl)-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]benzamide?
The IUPAC name of 4-(ethylsulfamoyl)-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]benzamide (CID 55440908) is 4-(ethylsulfamoyl)-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]benzamide.
What is the SMILES notation for 4-(ethylsulfamoyl)-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]benzamide?
The canonical SMILES for 4-(ethylsulfamoyl)-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]benzamide is CCNS(=O)(=O)c1ccc(C(=O)NN2C(=O)NC(C)(CCc3ccccc3)C2=O)cc1.
What is the InChIKey of 4-(ethylsulfamoyl)-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]benzamide?
The InChIKey is OTJQNPQINMCHLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O5S/c1-3-22-31(29,30)17-11-9-16(10-12-17)18(26)24-25-19(27)21(2,23-20(25)28)14-13-15-7-5-4-6-8-15/h4-12,22H,3,13-14H2,1-2H3,(H,23,28)(H,24,26).
What are the key properties of 4-(ethylsulfamoyl)-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]benzamide?
4-(ethylsulfamoyl)-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]benzamide has a molecular weight of 444.51 g/mol, XLogP of 1.57, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylsulfamoyl)-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]benzamide is sourced from PubChem (CID 55440908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).