2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(2-phenylsulfanylphenyl)acetamide

C21H21N3O4S — CID 7558012

IUPAC2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(2-phenylsulfanylphenyl)acetamide
SMILESCC(C)CN1C(=O)C(=O)N(CC(=O)Nc2ccccc2Sc2ccccc2)C1=O
InChIInChI=1S/C21H21N3O4S/c1-14(2)12-23-19(26)20(27)24(21(23)28)13-18(25)22-16-10-6-7-11-17(16)29-15-8-4-3-5-9-15/h3-11,14H,12-13H2,1-2H3,(H,22,25)
InChIKeyCHJVVFAAEZEMDD-UHFFFAOYSA-N
MW411.48 g/mol
LogP3.22
Rot. Bonds7

About 2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(2-phenylsulfanylphenyl)acetamide

2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(2-phenylsulfanylphenyl)acetamide (PubChem CID 7558012) has the molecular formula C21H21N3O4S and a molecular weight of 411.48 g/mol. Its IUPAC name is 2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(2-phenylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(2-phenylsulfanylphenyl)acetamide
PubChem CID7558012
Molecular FormulaC21H21N3O4S
Molecular Weight411.48 g/mol
Exact Mass411.13
IUPAC Name2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(2-phenylsulfanylphenyl)acetamide
SMILESCC(C)CN1C(=O)C(=O)N(CC(=O)Nc2ccccc2Sc2ccccc2)C1=O
InChIInChI=1S/C21H21N3O4S/c1-14(2)12-23-19(26)20(27)24(21(23)28)13-18(25)22-16-10-6-7-11-17(16)29-15-8-4-3-5-9-15/h3-11,14H,12-13H2,1-2H3,(H,22,25)
InChIKeyCHJVVFAAEZEMDD-UHFFFAOYSA-N
XLogP3.22
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.48
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-fluorophenyl)-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 2574811
2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]-N-phenylacetamide
CID 2574725
2-[3-(furan-2-ylmethyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(2-phenylsulfanylphenyl)acetamide
CID 4782480
2-[(4S)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-phenylsulfanylphenyl)acetamide
CID 40720826
1-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]-3-(2-phenylsulfanylphenyl)urea
CID 108872514
N-[2,6-di(propan-2-yl)phenyl]-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 2660949
N-(2-methylsulfanylphenyl)-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide
CID 7807482
N-(2-phenylsulfanylphenyl)-2-(propylamino)acetamide
CID 60648203
N-(2-phenylsulfanylphenyl)-2-pyrrolidin-1-ylacetamide
CID 4879989
2-hydroxy-N-(2-phenylsulfanylphenyl)acetamide
CID 8006850
2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 2574652
N-(2-methylpropyl)-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 2574518

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(2-phenylsulfanylphenyl)acetamide?
The IUPAC name of 2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(2-phenylsulfanylphenyl)acetamide (CID 7558012) is 2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(2-phenylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(2-phenylsulfanylphenyl)acetamide?
The canonical SMILES for 2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(2-phenylsulfanylphenyl)acetamide is CC(C)CN1C(=O)C(=O)N(CC(=O)Nc2ccccc2Sc2ccccc2)C1=O.
What is the InChIKey of 2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(2-phenylsulfanylphenyl)acetamide?
The InChIKey is CHJVVFAAEZEMDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4S/c1-14(2)12-23-19(26)20(27)24(21(23)28)13-18(25)22-16-10-6-7-11-17(16)29-15-8-4-3-5-9-15/h3-11,14H,12-13H2,1-2H3,(H,22,25).
What are the key properties of 2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(2-phenylsulfanylphenyl)acetamide?
2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(2-phenylsulfanylphenyl)acetamide has a molecular weight of 411.48 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(2-phenylsulfanylphenyl)acetamide is sourced from PubChem (CID 7558012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).