4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(3-methylsulfonylphenyl)butanamide

C15H19N3O5S — CID 9072319

IUPAC4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(3-methylsulfonylphenyl)butanamide
SMILESCN1CC(=O)N(CCCC(=O)Nc2cccc(S(C)(=O)=O)c2)C1=O
InChIInChI=1S/C15H19N3O5S/c1-17-10-14(20)18(15(17)21)8-4-7-13(19)16-11-5-3-6-12(9-11)24(2,22)23/h3,5-6,9H,4,7-8,10H2,1-2H3,(H,16,19)
InChIKeyAGQPRSOSEJZPIK-UHFFFAOYSA-N
MW353.40 g/mol
LogP0.70
Rot. Bonds6

About 4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(3-methylsulfonylphenyl)butanamide

4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(3-methylsulfonylphenyl)butanamide (PubChem CID 9072319) has the molecular formula C15H19N3O5S and a molecular weight of 353.40 g/mol. Its IUPAC name is 4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(3-methylsulfonylphenyl)butanamide.

Molecular Properties

Compound Name4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(3-methylsulfonylphenyl)butanamide
PubChem CID9072319
Molecular FormulaC15H19N3O5S
Molecular Weight353.40 g/mol
Exact Mass353.10
IUPAC Name4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(3-methylsulfonylphenyl)butanamide
SMILESCN1CC(=O)N(CCCC(=O)Nc2cccc(S(C)(=O)=O)c2)C1=O
InChIInChI=1S/C15H19N3O5S/c1-17-10-14(20)18(15(17)21)8-4-7-13(19)16-11-5-3-6-12(9-11)24(2,22)23/h3,5-6,9H,4,7-8,10H2,1-2H3,(H,16,19)
InChIKeyAGQPRSOSEJZPIK-UHFFFAOYSA-N
XLogP0.70
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide
CID 55383950
N-(3,4-dimethylphenyl)-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide
CID 18160401
4-hydroxy-N-(3-methylsulfonylphenyl)butanamide
CID 79193203
N-(3-methylsulfonylphenyl)butanamide
CID 37391541
N-(4-methoxyphenyl)-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide
CID 8777093
4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)butanamide
CID 55383406
4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]butanamide
CID 55762912
N-(4-amino-3,5-dichlorophenyl)-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide
CID 18208015
N-[3,5-bis(trifluoromethyl)phenyl]-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide
CID 9207191
3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(3-methylsulfonylphenyl)propanamide
CID 18139030
N-(4-butylphenyl)-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide
CID 78808991
4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(4-pyrazol-1-ylphenyl)butanamide
CID 78864304

Frequently Asked Questions

What is the IUPAC name of 4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(3-methylsulfonylphenyl)butanamide?
The IUPAC name of 4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(3-methylsulfonylphenyl)butanamide (CID 9072319) is 4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(3-methylsulfonylphenyl)butanamide.
What is the SMILES notation for 4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(3-methylsulfonylphenyl)butanamide?
The canonical SMILES for 4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(3-methylsulfonylphenyl)butanamide is CN1CC(=O)N(CCCC(=O)Nc2cccc(S(C)(=O)=O)c2)C1=O.
What is the InChIKey of 4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(3-methylsulfonylphenyl)butanamide?
The InChIKey is AGQPRSOSEJZPIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O5S/c1-17-10-14(20)18(15(17)21)8-4-7-13(19)16-11-5-3-6-12(9-11)24(2,22)23/h3,5-6,9H,4,7-8,10H2,1-2H3,(H,16,19).
What are the key properties of 4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(3-methylsulfonylphenyl)butanamide?
4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(3-methylsulfonylphenyl)butanamide has a molecular weight of 353.40 g/mol, XLogP of 0.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(3-methylsulfonylphenyl)butanamide is sourced from PubChem (CID 9072319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).