2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(2-methoxy-5-methylphenyl)-3-oxobutanamide;sulfur dioxide

C17H21N3O7S — CID 90922254

IUPAC2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(2-methoxy-5-methylphenyl)-3-oxobutanamide;sulfur dioxide
SMILESCOc1ccc(C)cc1NC(=O)C(C(C)=O)N1C(=O)NC(C)(C)C1=O.O=S=O
InChIInChI=1S/C17H21N3O5.O2S/c1-9-6-7-12(25-5)11(8-9)18-14(22)13(10(2)21)20-15(23)17(3,4)19-16(20)24;1-3-2/h6-8,13H,1-5H3,(H,18,22)(H,19,24);
InChIKeyDBYRSGFRTDJOQD-UHFFFAOYSA-N
MW411.44 g/mol
LogP0.56
Rot. Bonds5

About 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(2-methoxy-5-methylphenyl)-3-oxobutanamide;sulfur dioxide

2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(2-methoxy-5-methylphenyl)-3-oxobutanamide;sulfur dioxide (PubChem CID 90922254) has the molecular formula C17H21N3O7S and a molecular weight of 411.44 g/mol. Its IUPAC name is 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(2-methoxy-5-methylphenyl)-3-oxobutanamide;sulfur dioxide.

Molecular Properties

Compound Name2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(2-methoxy-5-methylphenyl)-3-oxobutanamide;sulfur dioxide
PubChem CID90922254
Molecular FormulaC17H21N3O7S
Molecular Weight411.44 g/mol
Exact Mass411.11
IUPAC Name2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(2-methoxy-5-methylphenyl)-3-oxobutanamide;sulfur dioxide
SMILESCOc1ccc(C)cc1NC(=O)C(C(C)=O)N1C(=O)NC(C)(C)C1=O.O=S=O
InChIInChI=1S/C17H21N3O5.O2S/c1-9-6-7-12(25-5)11(8-9)18-14(22)13(10(2)21)20-15(23)17(3,4)19-16(20)24;1-3-2/h6-8,13H,1-5H3,(H,18,22)(H,19,24);
InChIKeyDBYRSGFRTDJOQD-UHFFFAOYSA-N
XLogP0.56
TPSA138.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.44
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

2-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]-N-(2-methoxy-5-methylphenyl)-4,4-dimethyl-3-oxopentanamide
CID 54465434
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[5-(hexadecoxysulfinylamino)-2-methoxyphenyl]-4,4-dimethyl-3-oxopentanamide
CID 54193568
(2S)-2-[(3aR,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(2-methoxy-5-methylphenyl)propanamide
CID 7611381
(2S)-2-amino-N-(2-methoxy-5-methylphenyl)propanamide
CID 22690513
(2R)-2-acetamido-N-(2-methoxy-5-methylphenyl)-3-methylbutanamide
CID 40917712
1-(2-methoxy-5-methylphenyl)-3-(4-methylphenyl)urea
CID 16640797
[(2R)-1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 2-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 8957793
(2S)-2-amino-N-(2-methoxy-5-methylphenyl)-3,3-dimethylbutanamide
CID 61149030
2-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide
CID 1447930
1-(2-methoxy-5-methylphenyl)-3-[(4-methylphenyl)methyl]urea
CID 6467864
N-(2-methoxy-5-methylphenyl)-2-[(5R,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2579596
(2S)-N-(2-methoxy-5-methylphenyl)-2-pyrrolidin-1-ylpropanamide
CID 9274960

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(2-methoxy-5-methylphenyl)-3-oxobutanamide;sulfur dioxide?
The IUPAC name of 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(2-methoxy-5-methylphenyl)-3-oxobutanamide;sulfur dioxide (CID 90922254) is 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(2-methoxy-5-methylphenyl)-3-oxobutanamide;sulfur dioxide.
What is the SMILES notation for 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(2-methoxy-5-methylphenyl)-3-oxobutanamide;sulfur dioxide?
The canonical SMILES for 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(2-methoxy-5-methylphenyl)-3-oxobutanamide;sulfur dioxide is COc1ccc(C)cc1NC(=O)C(C(C)=O)N1C(=O)NC(C)(C)C1=O.O=S=O.
What is the InChIKey of 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(2-methoxy-5-methylphenyl)-3-oxobutanamide;sulfur dioxide?
The InChIKey is DBYRSGFRTDJOQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O5.O2S/c1-9-6-7-12(25-5)11(8-9)18-14(22)13(10(2)21)20-15(23)17(3,4)19-16(20)24;1-3-2/h6-8,13H,1-5H3,(H,18,22)(H,19,24);.
What are the key properties of 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(2-methoxy-5-methylphenyl)-3-oxobutanamide;sulfur dioxide?
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(2-methoxy-5-methylphenyl)-3-oxobutanamide;sulfur dioxide has a molecular weight of 411.44 g/mol, XLogP of 0.56, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(2-methoxy-5-methylphenyl)-3-oxobutanamide;sulfur dioxide is sourced from PubChem (CID 90922254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).