2-(3-cyclopropyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2-prop-2-enylsulfanylphenyl)acetamide

C17H17N3O4S — CID 39965678

IUPAC2-(3-cyclopropyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2-prop-2-enylsulfanylphenyl)acetamide
SMILESC=CCSc1ccccc1NC(=O)CN1C(=O)C(=O)N(C2CC2)C1=O
InChIInChI=1S/C17H17N3O4S/c1-2-9-25-13-6-4-3-5-12(13)18-14(21)10-19-15(22)16(23)20(17(19)24)11-7-8-11/h2-6,11H,1,7-10H2,(H,18,21)
InChIKeyAJEZRPZAESAZNJ-UHFFFAOYSA-N
MW359.41 g/mol
LogP1.86
Rot. Bonds7

About 2-(3-cyclopropyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2-prop-2-enylsulfanylphenyl)acetamide

2-(3-cyclopropyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2-prop-2-enylsulfanylphenyl)acetamide (PubChem CID 39965678) has the molecular formula C17H17N3O4S and a molecular weight of 359.41 g/mol. Its IUPAC name is 2-(3-cyclopropyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2-prop-2-enylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-cyclopropyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2-prop-2-enylsulfanylphenyl)acetamide
PubChem CID39965678
Molecular FormulaC17H17N3O4S
Molecular Weight359.41 g/mol
Exact Mass359.09
IUPAC Name2-(3-cyclopropyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2-prop-2-enylsulfanylphenyl)acetamide
SMILESC=CCSc1ccccc1NC(=O)CN1C(=O)C(=O)N(C2CC2)C1=O
InChIInChI=1S/C17H17N3O4S/c1-2-9-25-13-6-4-3-5-12(13)18-14(21)10-19-15(22)16(23)20(17(19)24)11-7-8-11/h2-6,11H,1,7-10H2,(H,18,21)
InChIKeyAJEZRPZAESAZNJ-UHFFFAOYSA-N
XLogP1.86
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 51.86
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(4-cyclopropylpiperazin-1-yl)-N-(2-prop-2-enylsulfanylphenyl)acetamide
CID 60595733
N-(2-acetylphenyl)-2-(3-cyclopropyl-2,4,5-trioxoimidazolidin-1-yl)acetamide
CID 39920728
N-(2-methylsulfanylphenyl)-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide
CID 7807482
2-(4-cyclopentylpiperazin-1-yl)-N-(2-prop-2-enylsulfanylphenyl)acetamide
CID 86928063
2-(3-cyclopropyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2-phenoxyphenyl)acetamide
CID 39920760
2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-N-(2-prop-2-enylsulfanylphenyl)acetamide
CID 42939544
2-[3-(hydroxymethyl)pyrrolidin-1-yl]-N-(2-prop-2-enylsulfanylphenyl)acetamide
CID 111543814
2-amino-N-(2-prop-2-enylsulfanylphenyl)acetamide
CID 14995592
2-[4-[2-oxo-2-(2-prop-2-enylsulfanylanilino)ethyl]piperazin-1-yl]-N-propylacetamide
CID 18088532
N-(2-benzoylphenyl)-2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)acetamide
CID 7756202
2-[(5Z)-2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]-N-(2-prop-2-enylsulfanylphenyl)acetamide
CID 24619196
3-oxo-N-(2-prop-2-enylsulfanylphenyl)butanamide
CID 54867229

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopropyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2-prop-2-enylsulfanylphenyl)acetamide?
The IUPAC name of 2-(3-cyclopropyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2-prop-2-enylsulfanylphenyl)acetamide (CID 39965678) is 2-(3-cyclopropyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2-prop-2-enylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-(3-cyclopropyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2-prop-2-enylsulfanylphenyl)acetamide?
The canonical SMILES for 2-(3-cyclopropyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2-prop-2-enylsulfanylphenyl)acetamide is C=CCSc1ccccc1NC(=O)CN1C(=O)C(=O)N(C2CC2)C1=O.
What is the InChIKey of 2-(3-cyclopropyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2-prop-2-enylsulfanylphenyl)acetamide?
The InChIKey is AJEZRPZAESAZNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4S/c1-2-9-25-13-6-4-3-5-12(13)18-14(21)10-19-15(22)16(23)20(17(19)24)11-7-8-11/h2-6,11H,1,7-10H2,(H,18,21).
What are the key properties of 2-(3-cyclopropyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2-prop-2-enylsulfanylphenyl)acetamide?
2-(3-cyclopropyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2-prop-2-enylsulfanylphenyl)acetamide has a molecular weight of 359.41 g/mol, XLogP of 1.86, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopropyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2-prop-2-enylsulfanylphenyl)acetamide is sourced from PubChem (CID 39965678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).