N-(3-methylsulfonylphenyl)-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide

C15H17N3O6S — CID 8988510

IUPACN-(3-methylsulfonylphenyl)-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide
SMILESCC(C)N1C(=O)C(=O)N(CC(=O)Nc2cccc(S(C)(=O)=O)c2)C1=O
InChIInChI=1S/C15H17N3O6S/c1-9(2)18-14(21)13(20)17(15(18)22)8-12(19)16-10-5-4-6-11(7-10)25(3,23)24/h4-7,9H,8H2,1-3H3,(H,16,19)
InChIKeyCJYRYKDDYKJZCB-UHFFFAOYSA-N
MW367.38 g/mol
LogP0.23
Rot. Bonds5

About N-(3-methylsulfonylphenyl)-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide

N-(3-methylsulfonylphenyl)-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide (PubChem CID 8988510) has the molecular formula C15H17N3O6S and a molecular weight of 367.38 g/mol. Its IUPAC name is N-(3-methylsulfonylphenyl)-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-methylsulfonylphenyl)-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide
PubChem CID8988510
Molecular FormulaC15H17N3O6S
Molecular Weight367.38 g/mol
Exact Mass367.08
IUPAC NameN-(3-methylsulfonylphenyl)-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide
SMILESCC(C)N1C(=O)C(=O)N(CC(=O)Nc2cccc(S(C)(=O)=O)c2)C1=O
InChIInChI=1S/C15H17N3O6S/c1-9(2)18-14(21)13(20)17(15(18)22)8-12(19)16-10-5-4-6-11(7-10)25(3,23)24/h4-7,9H,8H2,1-3H3,(H,16,19)
InChIKeyCJYRYKDDYKJZCB-UHFFFAOYSA-N
XLogP0.23
TPSA120.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[(3aR,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(3-methylsulfonylphenyl)acetamide
CID 8543298
N-(4-propan-2-ylphenyl)-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide
CID 7652393
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(3-methylsulfonylphenyl)acetamide
CID 18090559
2-(azocan-1-yl)-N-(3-methylsulfonylphenyl)acetamide
CID 8680067
N-[4-(dimethylamino)phenyl]-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide
CID 7762086
N-(3,4-diethoxyphenyl)-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide
CID 7975817
N-(2-ethylphenyl)-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide
CID 7975944
2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 18205489
2-(ethylamino)-N-(3-methylsulfonylphenyl)acetamide
CID 60673121
N-(2-ethyl-6-methylphenyl)-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide
CID 7975795
4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(3-methylsulfonylphenyl)butanamide
CID 9072319
2-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]-N-(3-methylsulfonylphenyl)acetamide
CID 41324108

Frequently Asked Questions

What is the IUPAC name of N-(3-methylsulfonylphenyl)-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide?
The IUPAC name of N-(3-methylsulfonylphenyl)-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide (CID 8988510) is N-(3-methylsulfonylphenyl)-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide.
What is the SMILES notation for N-(3-methylsulfonylphenyl)-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide?
The canonical SMILES for N-(3-methylsulfonylphenyl)-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide is CC(C)N1C(=O)C(=O)N(CC(=O)Nc2cccc(S(C)(=O)=O)c2)C1=O.
What is the InChIKey of N-(3-methylsulfonylphenyl)-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide?
The InChIKey is CJYRYKDDYKJZCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O6S/c1-9(2)18-14(21)13(20)17(15(18)22)8-12(19)16-10-5-4-6-11(7-10)25(3,23)24/h4-7,9H,8H2,1-3H3,(H,16,19).
What are the key properties of N-(3-methylsulfonylphenyl)-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide?
N-(3-methylsulfonylphenyl)-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide has a molecular weight of 367.38 g/mol, XLogP of 0.23, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfonylphenyl)-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide is sourced from PubChem (CID 8988510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).