N-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-4-morpholin-4-ylsulfonylbenzamide

C22H24N4O7S — CID 166185719

IUPACN-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-4-morpholin-4-ylsulfonylbenzamide
SMILESCOc1ccc(C2(C)NC(=O)N(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)C2=O)cc1
InChIInChI=1S/C22H24N4O7S/c1-22(16-5-7-17(32-2)8-6-16)20(28)26(21(29)23-22)24-19(27)15-3-9-18(10-4-15)34(30,31)25-11-13-33-14-12-25/h3-10H,11-14H2,1-2H3,(H,23,29)(H,24,27)
InChIKeyDAQCJCHMFHFJSK-UHFFFAOYSA-N
MW488.52 g/mol
LogP0.83
Rot. Bonds6

About N-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-4-morpholin-4-ylsulfonylbenzamide

N-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-4-morpholin-4-ylsulfonylbenzamide (PubChem CID 166185719) has the molecular formula C22H24N4O7S and a molecular weight of 488.52 g/mol. Its IUPAC name is N-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-4-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-4-morpholin-4-ylsulfonylbenzamide
PubChem CID166185719
Molecular FormulaC22H24N4O7S
Molecular Weight488.52 g/mol
Exact Mass488.14
IUPAC NameN-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-4-morpholin-4-ylsulfonylbenzamide
SMILESCOc1ccc(C2(C)NC(=O)N(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)C2=O)cc1
InChIInChI=1S/C22H24N4O7S/c1-22(16-5-7-17(32-2)8-6-16)20(28)26(21(29)23-22)24-19(27)15-3-9-18(10-4-15)34(30,31)25-11-13-33-14-12-25/h3-10H,11-14H2,1-2H3,(H,23,29)(H,24,27)
InChIKeyDAQCJCHMFHFJSK-UHFFFAOYSA-N
XLogP0.83
TPSA134.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.52
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 41203446
N-[(4-methoxyphenyl)methyl]-4-morpholin-4-ylsulfonylbenzamide
CID 2429764
N-[(4S)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-4-(methylsulfanylmethyl)benzamide
CID 9166737
2-[(4R)-4-(6-methoxynaphthalen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 98419973
N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-morpholin-4-ylsulfonylbenzamide
CID 100678969
N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-morpholin-4-ylsulfonylbenzamide
CID 100680327
[2-[(4-methoxybenzoyl)amino]-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate
CID 16527597
1-(4-methoxyphenyl)-3-[(4-morpholin-4-ylsulfonylbenzoyl)amino]thiourea
CID 1176488
N-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-[4-(morpholine-4-carbonyl)piperazin-1-yl]acetamide
CID 55511314
N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylethyl]-4-morpholin-4-ylsulfonylbenzamide
CID 44961219
2-methoxy-N'-(4-methoxybenzoyl)-5-morpholin-4-ylsulfonylbenzohydrazide
CID 24536047
3,5-dimethoxy-N-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]benzamide
CID 8879493

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-4-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-4-morpholin-4-ylsulfonylbenzamide (CID 166185719) is N-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-4-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-4-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-4-morpholin-4-ylsulfonylbenzamide is COc1ccc(C2(C)NC(=O)N(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)C2=O)cc1.
What is the InChIKey of N-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-4-morpholin-4-ylsulfonylbenzamide?
The InChIKey is DAQCJCHMFHFJSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O7S/c1-22(16-5-7-17(32-2)8-6-16)20(28)26(21(29)23-22)24-19(27)15-3-9-18(10-4-15)34(30,31)25-11-13-33-14-12-25/h3-10H,11-14H2,1-2H3,(H,23,29)(H,24,27).
What are the key properties of N-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-4-morpholin-4-ylsulfonylbenzamide?
N-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-4-morpholin-4-ylsulfonylbenzamide has a molecular weight of 488.52 g/mol, XLogP of 0.83, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-4-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 166185719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).