N-(2-benzylsulfanylethyl)-2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide

C22H25N3O3S — CID 7487201

IUPACN-(2-benzylsulfanylethyl)-2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
SMILESCC[C@]1(c2ccccc2)NC(=O)N(CC(=O)NCCSCc2ccccc2)C1=O
InChIInChI=1S/C22H25N3O3S/c1-2-22(18-11-7-4-8-12-18)20(27)25(21(28)24-22)15-19(26)23-13-14-29-16-17-9-5-3-6-10-17/h3-12H,2,13-16H2,1H3,(H,23,26)(H,24,28)/t22-/m1/s1
InChIKeyFYEDWSHMZODDPQ-JOCHJYFZSA-N
MW411.53 g/mol
LogP2.89
Rot. Bonds9

About N-(2-benzylsulfanylethyl)-2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide

N-(2-benzylsulfanylethyl)-2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide (PubChem CID 7487201) has the molecular formula C22H25N3O3S and a molecular weight of 411.53 g/mol. Its IUPAC name is N-(2-benzylsulfanylethyl)-2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-benzylsulfanylethyl)-2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
PubChem CID7487201
Molecular FormulaC22H25N3O3S
Molecular Weight411.53 g/mol
Exact Mass411.16
IUPAC NameN-(2-benzylsulfanylethyl)-2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
SMILESCC[C@]1(c2ccccc2)NC(=O)N(CC(=O)NCCSCc2ccccc2)C1=O
InChIInChI=1S/C22H25N3O3S/c1-2-22(18-11-7-4-8-12-18)20(27)25(21(28)24-22)15-19(26)23-13-14-29-16-17-9-5-3-6-10-17/h3-12H,2,13-16H2,1H3,(H,23,26)(H,24,28)/t22-/m1/s1
InChIKeyFYEDWSHMZODDPQ-JOCHJYFZSA-N
XLogP2.89
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.53
LogP ≤ 52.89
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'}

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Related Compounds

N-(2-cyanoethyl)-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 46583189
N-benzyl-2-[(4R)-4-ethyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 26010815
2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[(4-fluorophenyl)methyl]acetamide
CID 4810291
N-(2-benzylsulfanylethyl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 7630358
N-[(3-chlorophenyl)methyl]-2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 7242669
2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[(1-phenylcyclopropyl)methyl]acetamide
CID 51317259
N-[2-(cyclohexen-1-yl)ethyl]-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 17439994
2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 41153699
N-ethoxy-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 42925429
2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide
CID 134000677
2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(3-phenylmethoxypropyl)acetamide
CID 24629442
2-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]-N-[2-(4-methylphenyl)sulfanylethyl]acetamide
CID 8943511

Frequently Asked Questions

What is the IUPAC name of N-(2-benzylsulfanylethyl)-2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide?
The IUPAC name of N-(2-benzylsulfanylethyl)-2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide (CID 7487201) is N-(2-benzylsulfanylethyl)-2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-(2-benzylsulfanylethyl)-2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide?
The canonical SMILES for N-(2-benzylsulfanylethyl)-2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide is CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)NCCSCc2ccccc2)C1=O.
What is the InChIKey of N-(2-benzylsulfanylethyl)-2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide?
The InChIKey is FYEDWSHMZODDPQ-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H25N3O3S/c1-2-22(18-11-7-4-8-12-18)20(27)25(21(28)24-22)15-19(26)23-13-14-29-16-17-9-5-3-6-10-17/h3-12H,2,13-16H2,1H3,(H,23,26)(H,24,28)/t22-/m1/s1.
What are the key properties of N-(2-benzylsulfanylethyl)-2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide?
N-(2-benzylsulfanylethyl)-2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide has a molecular weight of 411.53 g/mol, XLogP of 2.89, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzylsulfanylethyl)-2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide is sourced from PubChem (CID 7487201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).