2-[(4S)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-(2-phenylsulfanylphenyl)acetamide

C25H23N3O3S — CID 40819989

IUPAC2-[(4S)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-(2-phenylsulfanylphenyl)acetamide
SMILESO=C(CN1C(=O)N[C@@H](CCc2ccccc2)C1=O)Nc1ccccc1Sc1ccccc1
InChIInChI=1S/C25H23N3O3S/c29-23(26-20-13-7-8-14-22(20)32-19-11-5-2-6-12-19)17-28-24(30)21(27-25(28)31)16-15-18-9-3-1-4-10-18/h1-14,21H,15-17H2,(H,26,29)(H,27,31)/t21-/m0/s1
InChIKeyVTARQSOAGJUOPZ-NRFANRHFSA-N
MW445.54 g/mol
LogP4.33
Rot. Bonds8

About 2-[(4S)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-(2-phenylsulfanylphenyl)acetamide

2-[(4S)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-(2-phenylsulfanylphenyl)acetamide (PubChem CID 40819989) has the molecular formula C25H23N3O3S and a molecular weight of 445.54 g/mol. Its IUPAC name is 2-[(4S)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-(2-phenylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-[(4S)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-(2-phenylsulfanylphenyl)acetamide
PubChem CID40819989
Molecular FormulaC25H23N3O3S
Molecular Weight445.54 g/mol
Exact Mass445.15
IUPAC Name2-[(4S)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-(2-phenylsulfanylphenyl)acetamide
SMILESO=C(CN1C(=O)N[C@@H](CCc2ccccc2)C1=O)Nc1ccccc1Sc1ccccc1
InChIInChI=1S/C25H23N3O3S/c29-23(26-20-13-7-8-14-22(20)32-19-11-5-2-6-12-19)17-28-24(30)21(27-25(28)31)16-15-18-9-3-1-4-10-18/h1-14,21H,15-17H2,(H,26,29)(H,27,31)/t21-/m0/s1
InChIKeyVTARQSOAGJUOPZ-NRFANRHFSA-N
XLogP4.33
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.54
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-chlorophenyl)sulfanylphenyl]-2-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 42898323
N-(2-chlorophenyl)-2-[(4R)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 2703995
N-(2-tert-butylphenyl)-2-[(4R)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 2703909
2-[(4S)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-ethylacetamide
CID 2598023
N-(4-chloro-2-methylphenyl)-2-[(4R)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 2703899
N-(4-chlorophenyl)-2-[(4S)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 2704027
2-[(4R)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 7916979
2-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-(4-ethylphenyl)acetamide
CID 17447614
N-[4-[(2S)-butan-2-yl]phenyl]-2-[(4S)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 7916993
N-[4-[(2R)-butan-2-yl]phenyl]-2-[(4S)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 7916991
2-[(4S)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 2598211
(5R)-3-(2-oxopropyl)-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 2598130

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-(2-phenylsulfanylphenyl)acetamide?
The IUPAC name of 2-[(4S)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-(2-phenylsulfanylphenyl)acetamide (CID 40819989) is 2-[(4S)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-(2-phenylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-[(4S)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-(2-phenylsulfanylphenyl)acetamide?
The canonical SMILES for 2-[(4S)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-(2-phenylsulfanylphenyl)acetamide is O=C(CN1C(=O)N[C@@H](CCc2ccccc2)C1=O)Nc1ccccc1Sc1ccccc1.
What is the InChIKey of 2-[(4S)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-(2-phenylsulfanylphenyl)acetamide?
The InChIKey is VTARQSOAGJUOPZ-NRFANRHFSA-N. The full InChI is InChI=1S/C25H23N3O3S/c29-23(26-20-13-7-8-14-22(20)32-19-11-5-2-6-12-19)17-28-24(30)21(27-25(28)31)16-15-18-9-3-1-4-10-18/h1-14,21H,15-17H2,(H,26,29)(H,27,31)/t21-/m0/s1.
What are the key properties of 2-[(4S)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-(2-phenylsulfanylphenyl)acetamide?
2-[(4S)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-(2-phenylsulfanylphenyl)acetamide has a molecular weight of 445.54 g/mol, XLogP of 4.33, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-(2-phenylsulfanylphenyl)acetamide is sourced from PubChem (CID 40819989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).