2-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]-N-[2-(4-methylphenyl)sulfanylethyl]acetamide

C23H27N3O3S — CID 8943511

IUPAC2-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]-N-[2-(4-methylphenyl)sulfanylethyl]acetamide
SMILESCCC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)NCCSc2ccc(C)cc2)C1=O
InChIInChI=1S/C23H27N3O3S/c1-3-13-23(18-7-5-4-6-8-18)21(28)26(22(29)25-23)16-20(27)24-14-15-30-19-11-9-17(2)10-12-19/h4-12H,3,13-16H2,1-2H3,(H,24,27)(H,25,29)/t23-/m0/s1
InChIKeyDFPDHCWSRVBLLG-QHCPKHFHSA-N
MW425.55 g/mol
LogP3.45
Rot. Bonds9

About 2-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]-N-[2-(4-methylphenyl)sulfanylethyl]acetamide

2-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]-N-[2-(4-methylphenyl)sulfanylethyl]acetamide (PubChem CID 8943511) has the molecular formula C23H27N3O3S and a molecular weight of 425.55 g/mol. Its IUPAC name is 2-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]-N-[2-(4-methylphenyl)sulfanylethyl]acetamide.

Molecular Properties

Compound Name2-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]-N-[2-(4-methylphenyl)sulfanylethyl]acetamide
PubChem CID8943511
Molecular FormulaC23H27N3O3S
Molecular Weight425.55 g/mol
Exact Mass425.18
IUPAC Name2-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]-N-[2-(4-methylphenyl)sulfanylethyl]acetamide
SMILESCCC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)NCCSc2ccc(C)cc2)C1=O
InChIInChI=1S/C23H27N3O3S/c1-3-13-23(18-7-5-4-6-8-18)21(28)26(22(29)25-23)16-20(27)24-14-15-30-19-11-9-17(2)10-12-19/h4-12H,3,13-16H2,1-2H3,(H,24,27)(H,25,29)/t23-/m0/s1
InChIKeyDFPDHCWSRVBLLG-QHCPKHFHSA-N
XLogP3.45
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.55
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]-N-[2-(4-methylphenyl)sulfanylethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]-N-(2-phenoxyethyl)acetamide
CID 8521760
2-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]-N-[(2S)-2-phenylbutyl]acetamide
CID 30761854
2-(2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl)-N-(4-methylsulfanylphenyl)acetamide
CID 24566026
N-benzhydryl-2-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]acetamide
CID 25340413
N-tert-butyl-2-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]acetamide
CID 2585330
N-[2-(4-chlorophenyl)sulfanylethyl]-2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetamide
CID 47094363
N-(2-benzylsulfanylethyl)-2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 7487201
N-(2-bromo-4-methylphenyl)-2-[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]acetamide
CID 2161530
2-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]-N-[(1S)-3-methyl-1-phenylbutyl]acetamide
CID 8521761
2-[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]-N-[(2S)-2-ethylhexyl]acetamide
CID 8572517
N-benzyl-2-[(4R)-4-ethyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 26010815
2-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]-N-(4-fluorophenyl)acetamide
CID 2082745

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]-N-[2-(4-methylphenyl)sulfanylethyl]acetamide?
The IUPAC name of 2-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]-N-[2-(4-methylphenyl)sulfanylethyl]acetamide (CID 8943511) is 2-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]-N-[2-(4-methylphenyl)sulfanylethyl]acetamide.
What is the SMILES notation for 2-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]-N-[2-(4-methylphenyl)sulfanylethyl]acetamide?
The canonical SMILES for 2-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]-N-[2-(4-methylphenyl)sulfanylethyl]acetamide is CCC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)NCCSc2ccc(C)cc2)C1=O.
What is the InChIKey of 2-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]-N-[2-(4-methylphenyl)sulfanylethyl]acetamide?
The InChIKey is DFPDHCWSRVBLLG-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H27N3O3S/c1-3-13-23(18-7-5-4-6-8-18)21(28)26(22(29)25-23)16-20(27)24-14-15-30-19-11-9-17(2)10-12-19/h4-12H,3,13-16H2,1-2H3,(H,24,27)(H,25,29)/t23-/m0/s1.
What are the key properties of 2-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]-N-[2-(4-methylphenyl)sulfanylethyl]acetamide?
2-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]-N-[2-(4-methylphenyl)sulfanylethyl]acetamide has a molecular weight of 425.55 g/mol, XLogP of 3.45, 9 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-phenyl-4-propylimidazolidin-1-yl]-N-[2-(4-methylphenyl)sulfanylethyl]acetamide is sourced from PubChem (CID 8943511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).