5-methyl-5-(4-methylphenyl)-3-[2-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione

C23H25N5O7S — CID 42601234

IUPAC5-methyl-5-(4-methylphenyl)-3-[2-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
SMILESCc1ccc(C2(C)NC(=O)N(CC(=O)N3CCN(S(=O)(=O)c4cccc([N+](=O)[O-])c4)CC3)C2=O)cc1
InChIInChI=1S/C23H25N5O7S/c1-16-6-8-17(9-7-16)23(2)21(30)27(22(31)24-23)15-20(29)25-10-12-26(13-11-25)36(34,35)19-5-3-4-18(14-19)28(32)33/h3-9,14H,10-13,15H2,1-2H3,(H,24,31)
InChIKeyYBSMZZXOQRACIZ-UHFFFAOYSA-N
MW515.55 g/mol
LogP1.20
Rot. Bonds6

About 5-methyl-5-(4-methylphenyl)-3-[2-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione

5-methyl-5-(4-methylphenyl)-3-[2-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione (PubChem CID 42601234) has the molecular formula C23H25N5O7S and a molecular weight of 515.55 g/mol. Its IUPAC name is 5-methyl-5-(4-methylphenyl)-3-[2-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-methyl-5-(4-methylphenyl)-3-[2-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
PubChem CID42601234
Molecular FormulaC23H25N5O7S
Molecular Weight515.55 g/mol
Exact Mass515.15
IUPAC Name5-methyl-5-(4-methylphenyl)-3-[2-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
SMILESCc1ccc(C2(C)NC(=O)N(CC(=O)N3CCN(S(=O)(=O)c4cccc([N+](=O)[O-])c4)CC3)C2=O)cc1
InChIInChI=1S/C23H25N5O7S/c1-16-6-8-17(9-7-16)23(2)21(30)27(22(31)24-23)15-20(29)25-10-12-26(13-11-25)36(34,35)19-5-3-4-18(14-19)28(32)33/h3-9,14H,10-13,15H2,1-2H3,(H,24,31)
InChIKeyYBSMZZXOQRACIZ-UHFFFAOYSA-N
XLogP1.20
TPSA150.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.55
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
CID 3430764
2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-(4-sulfamoylphenyl)acetamide
CID 2077907
[3-(4-Methyl-3-nitrophenyl)sulfonylimidazolidin-1-yl]-(4-methylphenyl)methanone
CID 2898491
2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
CID 3608586
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 3657707
2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 4009284
2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
CID 4027715
2-(2,4-diketo-6-methyl-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-methyl-3-piperidinosulfonyl-phenyl)acetamide
CID 4235176
3-[2-[4-(Benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-5-ethyl-5-phenylimidazolidine-2,4-dione
CID 4968846
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide
CID 16321455
2-[4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 16324828
2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide
CID 16325196

Frequently Asked Questions

What is the IUPAC name of 5-methyl-5-(4-methylphenyl)-3-[2-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione?
The IUPAC name of 5-methyl-5-(4-methylphenyl)-3-[2-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione (CID 42601234) is 5-methyl-5-(4-methylphenyl)-3-[2-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-methyl-5-(4-methylphenyl)-3-[2-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-methyl-5-(4-methylphenyl)-3-[2-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione is Cc1ccc(C2(C)NC(=O)N(CC(=O)N3CCN(S(=O)(=O)c4cccc([N+](=O)[O-])c4)CC3)C2=O)cc1.
What is the InChIKey of 5-methyl-5-(4-methylphenyl)-3-[2-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione?
The InChIKey is YBSMZZXOQRACIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O7S/c1-16-6-8-17(9-7-16)23(2)21(30)27(22(31)24-23)15-20(29)25-10-12-26(13-11-25)36(34,35)19-5-3-4-18(14-19)28(32)33/h3-9,14H,10-13,15H2,1-2H3,(H,24,31).
What are the key properties of 5-methyl-5-(4-methylphenyl)-3-[2-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione?
5-methyl-5-(4-methylphenyl)-3-[2-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione has a molecular weight of 515.55 g/mol, XLogP of 1.20, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-5-(4-methylphenyl)-3-[2-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 42601234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).