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

C22H23N5O7S — CID 24819757

IUPAC5-methyl-3-[2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-5-phenylimidazolidine-2,4-dione
SMILESCC1(c2ccccc2)NC(=O)N(CC(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)C1=O
InChIInChI=1S/C22H23N5O7S/c1-22(16-7-3-2-4-8-16)20(29)26(21(30)23-22)15-19(28)24-11-13-25(14-12-24)35(33,34)18-10-6-5-9-17(18)27(31)32/h2-10H,11-15H2,1H3,(H,23,30)
InChIKeyVVIRVHRCGGKENW-UHFFFAOYSA-N
MW501.52 g/mol
LogP0.89
Rot. Bonds6

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

5-methyl-3-[2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-5-phenylimidazolidine-2,4-dione (PubChem CID 24819757) has the molecular formula C22H23N5O7S and a molecular weight of 501.52 g/mol. Its IUPAC name is 5-methyl-3-[2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-5-phenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-methyl-3-[2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-5-phenylimidazolidine-2,4-dione
PubChem CID24819757
Molecular FormulaC22H23N5O7S
Molecular Weight501.52 g/mol
Exact Mass501.13
IUPAC Name5-methyl-3-[2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-5-phenylimidazolidine-2,4-dione
SMILESCC1(c2ccccc2)NC(=O)N(CC(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)C1=O
InChIInChI=1S/C22H23N5O7S/c1-22(16-7-3-2-4-8-16)20(29)26(21(30)23-22)15-19(28)24-11-13-25(14-12-24)35(33,34)18-10-6-5-9-17(18)27(31)32/h2-10H,11-15H2,1H3,(H,23,30)
InChIKeyVVIRVHRCGGKENW-UHFFFAOYSA-N
XLogP0.89
TPSA150.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.52
LogP ≤ 50.89
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

(4-Methylphenyl)-[3-(2-nitrophenyl)sulfonylimidazolidin-1-yl]methanone
CID 1354582
2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-(4-sulfamoylphenyl)acetamide
CID 2077907
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 3657707
3-[2-[4-(Benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-5-ethyl-5-phenylimidazolidine-2,4-dione
CID 4968846
N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 24978755
2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]acetamide
CID 24979641
N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 24983059
3-[2-[4-(3-Nitrophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 25162257
3-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-(4-sulfamoylphenyl)propanamide
CID 127030674
4-[4-Methyl-1-[2-(3-nitrophenyl)-2-oxoethyl]-2,5-dioxoimidazolidin-4-yl]benzenesulfonamide
CID 155542118
5-Methyl-5-(4-methylphenyl)-3-[2-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 42601234
5-Methyl-3-[(4-nitrophenyl)methyl]-5-phenyl-2,4-imidazolidinedione
CID 15945130

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-5-phenylimidazolidine-2,4-dione?
The IUPAC name of 5-methyl-3-[2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-5-phenylimidazolidine-2,4-dione (CID 24819757) is 5-methyl-3-[2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-5-phenylimidazolidine-2,4-dione.
What is the SMILES notation for 5-methyl-3-[2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-5-phenylimidazolidine-2,4-dione?
The canonical SMILES for 5-methyl-3-[2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-5-phenylimidazolidine-2,4-dione is CC1(c2ccccc2)NC(=O)N(CC(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)C1=O.
What is the InChIKey of 5-methyl-3-[2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-5-phenylimidazolidine-2,4-dione?
The InChIKey is VVIRVHRCGGKENW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O7S/c1-22(16-7-3-2-4-8-16)20(29)26(21(30)23-22)15-19(28)24-11-13-25(14-12-24)35(33,34)18-10-6-5-9-17(18)27(31)32/h2-10H,11-15H2,1H3,(H,23,30).
What are the key properties of 5-methyl-3-[2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-5-phenylimidazolidine-2,4-dione?
5-methyl-3-[2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-5-phenylimidazolidine-2,4-dione has a molecular weight of 501.52 g/mol, XLogP of 0.89, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-5-phenylimidazolidine-2,4-dione is sourced from PubChem (CID 24819757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).