2-[(4S)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-[4-(2,5-dimethylphenyl)sulfanylphenyl]acetamide

C26H25N3O3S — CID 41117633

IUPAC2-[(4S)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-[4-(2,5-dimethylphenyl)sulfanylphenyl]acetamide
SMILESCc1ccc(C)c(Sc2ccc(NC(=O)CN3C(=O)N[C@@H](Cc4ccccc4)C3=O)cc2)c1
InChIInChI=1S/C26H25N3O3S/c1-17-8-9-18(2)23(14-17)33-21-12-10-20(11-13-21)27-24(30)16-29-25(31)22(28-26(29)32)15-19-6-4-3-5-7-19/h3-14,22H,15-16H2,1-2H3,(H,27,30)(H,28,32)/t22-/m0/s1
InChIKeySYGQFESEKZFJRU-QFIPXVFZSA-N
MW459.57 g/mol
LogP4.56
Rot. Bonds7

About 2-[(4S)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-[4-(2,5-dimethylphenyl)sulfanylphenyl]acetamide

2-[(4S)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-[4-(2,5-dimethylphenyl)sulfanylphenyl]acetamide (PubChem CID 41117633) has the molecular formula C26H25N3O3S and a molecular weight of 459.57 g/mol. Its IUPAC name is 2-[(4S)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-[4-(2,5-dimethylphenyl)sulfanylphenyl]acetamide.

Molecular Properties

Compound Name2-[(4S)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-[4-(2,5-dimethylphenyl)sulfanylphenyl]acetamide
PubChem CID41117633
Molecular FormulaC26H25N3O3S
Molecular Weight459.57 g/mol
Exact Mass459.16
IUPAC Name2-[(4S)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-[4-(2,5-dimethylphenyl)sulfanylphenyl]acetamide
SMILESCc1ccc(C)c(Sc2ccc(NC(=O)CN3C(=O)N[C@@H](Cc4ccccc4)C3=O)cc2)c1
InChIInChI=1S/C26H25N3O3S/c1-17-8-9-18(2)23(14-17)33-21-12-10-20(11-13-21)27-24(30)16-29-25(31)22(28-26(29)32)15-19-6-4-3-5-7-19/h3-14,22H,15-16H2,1-2H3,(H,27,30)(H,28,32)/t22-/m0/s1
InChIKeySYGQFESEKZFJRU-QFIPXVFZSA-N
XLogP4.56
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.57
LogP ≤ 54.56
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

2-[(4S)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-(4-fluorophenyl)acetamide
CID 2090381
2-[(4R)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 51864031
2-[(4R)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-(3,4-dimethoxyphenyl)acetamide
CID 2602148
N-[4-(2,5-dimethylphenyl)sulfanylphenyl]-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetamide
CID 7757122
2-[(4S)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 2118924
2-[(4S)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 29170365
3-[[2-(4-benzyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]-N-cyclopropylbenzamide
CID 46687587
2-cyclopentylsulfanyl-N-[4-(2,5-dimethylphenyl)sulfanylphenyl]acetamide
CID 7825723
2-[(4R)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 7916979
N-[4-(2,4-dimethylphenyl)sulfanylphenyl]-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 2504049
2-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-(4-ethylphenyl)acetamide
CID 17447614
2-(2,5-dioxo-4-propylimidazolidin-1-yl)-N-(3-fluoro-4-methylphenyl)acetamide
CID 17453847

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-[4-(2,5-dimethylphenyl)sulfanylphenyl]acetamide?
The IUPAC name of 2-[(4S)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-[4-(2,5-dimethylphenyl)sulfanylphenyl]acetamide (CID 41117633) is 2-[(4S)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-[4-(2,5-dimethylphenyl)sulfanylphenyl]acetamide.
What is the SMILES notation for 2-[(4S)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-[4-(2,5-dimethylphenyl)sulfanylphenyl]acetamide?
The canonical SMILES for 2-[(4S)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-[4-(2,5-dimethylphenyl)sulfanylphenyl]acetamide is Cc1ccc(C)c(Sc2ccc(NC(=O)CN3C(=O)N[C@@H](Cc4ccccc4)C3=O)cc2)c1.
What is the InChIKey of 2-[(4S)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-[4-(2,5-dimethylphenyl)sulfanylphenyl]acetamide?
The InChIKey is SYGQFESEKZFJRU-QFIPXVFZSA-N. The full InChI is InChI=1S/C26H25N3O3S/c1-17-8-9-18(2)23(14-17)33-21-12-10-20(11-13-21)27-24(30)16-29-25(31)22(28-26(29)32)15-19-6-4-3-5-7-19/h3-14,22H,15-16H2,1-2H3,(H,27,30)(H,28,32)/t22-/m0/s1.
What are the key properties of 2-[(4S)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-[4-(2,5-dimethylphenyl)sulfanylphenyl]acetamide?
2-[(4S)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-[4-(2,5-dimethylphenyl)sulfanylphenyl]acetamide has a molecular weight of 459.57 g/mol, XLogP of 4.56, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-[4-(2,5-dimethylphenyl)sulfanylphenyl]acetamide is sourced from PubChem (CID 41117633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).