2-methyl-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-5-morpholin-4-ylsulfonylbenzamide

C22H24N4O6S — CID 55962762

IUPAC2-methyl-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-5-morpholin-4-ylsulfonylbenzamide
SMILESCc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1cccc(C2(C)NC(=O)NC2=O)c1
InChIInChI=1S/C22H24N4O6S/c1-14-6-7-17(33(30,31)26-8-10-32-11-9-26)13-18(14)19(27)23-16-5-3-4-15(12-16)22(2)20(28)24-21(29)25-22/h3-7,12-13H,8-11H2,1-2H3,(H,23,27)(H2,24,25,28,29)
InChIKeyGETSZELFBFQGSY-UHFFFAOYSA-N
MW472.52 g/mol
LogP1.32
Rot. Bonds5

About 2-methyl-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-5-morpholin-4-ylsulfonylbenzamide

2-methyl-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-5-morpholin-4-ylsulfonylbenzamide (PubChem CID 55962762) has the molecular formula C22H24N4O6S and a molecular weight of 472.52 g/mol. Its IUPAC name is 2-methyl-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-5-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound Name2-methyl-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-5-morpholin-4-ylsulfonylbenzamide
PubChem CID55962762
Molecular FormulaC22H24N4O6S
Molecular Weight472.52 g/mol
Exact Mass472.14
IUPAC Name2-methyl-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-5-morpholin-4-ylsulfonylbenzamide
SMILESCc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1cccc(C2(C)NC(=O)NC2=O)c1
InChIInChI=1S/C22H24N4O6S/c1-14-6-7-17(33(30,31)26-8-10-32-11-9-26)13-18(14)19(27)23-16-5-3-4-15(12-16)22(2)20(28)24-21(29)25-22/h3-7,12-13H,8-11H2,1-2H3,(H,23,27)(H2,24,25,28,29)
InChIKeyGETSZELFBFQGSY-UHFFFAOYSA-N
XLogP1.32
TPSA133.91 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.52
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)amino]benzoic acid
CID 23761201
2-methyl-5-morpholin-4-ylsulfonyl-N-pyridin-4-ylbenzamide
CID 25162643
2-methyl-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-5-methylsulfanylbenzamide
CID 55735649
2-methyl-5-morpholin-4-ylsulfonyl-N-(4-phenylphenyl)benzamide
CID 2676901
2-methyl-5-morpholin-4-ylsulfonyl-N-(4-nitrophenyl)benzamide
CID 9395287
2-chloro-N-(3-methylphenyl)-5-morpholin-4-ylsulfonylbenzamide
CID 1119039
N-(2-acetylphenyl)-2-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 8749628
2-hydroxy-N-(3-methylphenyl)-5-morpholin-4-ylsulfonylbenzamide
CID 43853467
N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 43882527
2-methyl-3-[(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)amino]benzamide
CID 34584461
2-methyl-N-(4-morpholin-4-ylphenyl)-5-piperidin-1-ylsulfonylbenzamide
CID 2111262
2-methyl-N-(1-methylpyrazol-3-yl)-5-morpholin-4-ylsulfonylbenzamide
CID 7638250

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-5-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of 2-methyl-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-5-morpholin-4-ylsulfonylbenzamide (CID 55962762) is 2-methyl-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-5-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for 2-methyl-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-5-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for 2-methyl-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-5-morpholin-4-ylsulfonylbenzamide is Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1cccc(C2(C)NC(=O)NC2=O)c1.
What is the InChIKey of 2-methyl-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-5-morpholin-4-ylsulfonylbenzamide?
The InChIKey is GETSZELFBFQGSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O6S/c1-14-6-7-17(33(30,31)26-8-10-32-11-9-26)13-18(14)19(27)23-16-5-3-4-15(12-16)22(2)20(28)24-21(29)25-22/h3-7,12-13H,8-11H2,1-2H3,(H,23,27)(H2,24,25,28,29).
What are the key properties of 2-methyl-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-5-morpholin-4-ylsulfonylbenzamide?
2-methyl-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-5-morpholin-4-ylsulfonylbenzamide has a molecular weight of 472.52 g/mol, XLogP of 1.32, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-5-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 55962762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).