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

C22H17N3O5S — CID 4782480

IUPAC2-[3-(furan-2-ylmethyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(2-phenylsulfanylphenyl)acetamide
SMILESO=C(CN1C(=O)C(=O)N(Cc2ccco2)C1=O)Nc1ccccc1Sc1ccccc1
InChIInChI=1S/C22H17N3O5S/c26-19(23-17-10-4-5-11-18(17)31-16-8-2-1-3-9-16)14-25-21(28)20(27)24(22(25)29)13-15-7-6-12-30-15/h1-12H,13-14H2,(H,23,26)
InChIKeyVZDKYEFVKRGIGQ-UHFFFAOYSA-N
MW435.46 g/mol
LogP3.36
Rot. Bonds7

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

2-[3-(furan-2-ylmethyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(2-phenylsulfanylphenyl)acetamide (PubChem CID 4782480) has the molecular formula C22H17N3O5S and a molecular weight of 435.46 g/mol. Its IUPAC name is 2-[3-(furan-2-ylmethyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(2-phenylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-[3-(furan-2-ylmethyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(2-phenylsulfanylphenyl)acetamide
PubChem CID4782480
Molecular FormulaC22H17N3O5S
Molecular Weight435.46 g/mol
Exact Mass435.09
IUPAC Name2-[3-(furan-2-ylmethyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(2-phenylsulfanylphenyl)acetamide
SMILESO=C(CN1C(=O)C(=O)N(Cc2ccco2)C1=O)Nc1ccccc1Sc1ccccc1
InChIInChI=1S/C22H17N3O5S/c26-19(23-17-10-4-5-11-18(17)31-16-8-2-1-3-9-16)14-25-21(28)20(27)24(22(25)29)13-15-7-6-12-30-15/h1-12H,13-14H2,(H,23,26)
InChIKeyVZDKYEFVKRGIGQ-UHFFFAOYSA-N
XLogP3.36
TPSA99.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.46
LogP ≤ 53.36
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-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(2-phenylsulfanylphenyl)acetamide
CID 7558012
N-tert-butyl-2-[3-(furan-2-ylmethyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 9374605
N-[(2R)-butan-2-yl]-2-[3-(furan-2-ylmethyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 9374600
N-(2-phenylsulfanylphenyl)-2-pyrrolidin-1-ylacetamide
CID 4879989
2-hydroxy-N-(2-phenylsulfanylphenyl)acetamide
CID 8006850
2-[3-(furan-2-ylmethyl)-2,4,5-trioxoimidazolidin-1-yl]-N-methyl-N-propan-2-ylacetamide
CID 9374673
2-[3-(furan-2-ylmethyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(3-propan-2-yloxypropyl)acetamide
CID 9374714
2-[4-(furan-2-yl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]-N-(2-phenylsulfanylphenyl)acetamide
CID 19482039
N-(2-methylsulfanylphenyl)-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide
CID 7807482
N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-2-[3-(furan-2-ylmethyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 9374666
N-(2-phenylsulfanylphenyl)-2-(propylamino)acetamide
CID 60648203
2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-(2-phenylsulfanylphenyl)acetamide
CID 2096773

Frequently Asked Questions

What is the IUPAC name of 2-[3-(furan-2-ylmethyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(2-phenylsulfanylphenyl)acetamide?
The IUPAC name of 2-[3-(furan-2-ylmethyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(2-phenylsulfanylphenyl)acetamide (CID 4782480) is 2-[3-(furan-2-ylmethyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(2-phenylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-[3-(furan-2-ylmethyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(2-phenylsulfanylphenyl)acetamide?
The canonical SMILES for 2-[3-(furan-2-ylmethyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(2-phenylsulfanylphenyl)acetamide is O=C(CN1C(=O)C(=O)N(Cc2ccco2)C1=O)Nc1ccccc1Sc1ccccc1.
What is the InChIKey of 2-[3-(furan-2-ylmethyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(2-phenylsulfanylphenyl)acetamide?
The InChIKey is VZDKYEFVKRGIGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O5S/c26-19(23-17-10-4-5-11-18(17)31-16-8-2-1-3-9-16)14-25-21(28)20(27)24(22(25)29)13-15-7-6-12-30-15/h1-12H,13-14H2,(H,23,26).
What are the key properties of 2-[3-(furan-2-ylmethyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(2-phenylsulfanylphenyl)acetamide?
2-[3-(furan-2-ylmethyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(2-phenylsulfanylphenyl)acetamide has a molecular weight of 435.46 g/mol, XLogP of 3.36, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(furan-2-ylmethyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(2-phenylsulfanylphenyl)acetamide is sourced from PubChem (CID 4782480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).