N-(2-benzylsulfanylphenyl)-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide

C26H25N3O4S — CID 17431012

IUPACN-(2-benzylsulfanylphenyl)-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCOc1ccc(C2(C)NC(=O)N(CC(=O)Nc3ccccc3SCc3ccccc3)C2=O)cc1
InChIInChI=1S/C26H25N3O4S/c1-26(19-12-14-20(33-2)15-13-19)24(31)29(25(32)28-26)16-23(30)27-21-10-6-7-11-22(21)34-17-18-8-4-3-5-9-18/h3-15H,16-17H2,1-2H3,(H,27,30)(H,28,32)
InChIKeyJZKFJRRDSOIBGH-UHFFFAOYSA-N
MW475.57 g/mol
LogP4.39
Rot. Bonds8

About N-(2-benzylsulfanylphenyl)-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide

N-(2-benzylsulfanylphenyl)-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide (PubChem CID 17431012) has the molecular formula C26H25N3O4S and a molecular weight of 475.57 g/mol. Its IUPAC name is N-(2-benzylsulfanylphenyl)-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-benzylsulfanylphenyl)-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
PubChem CID17431012
Molecular FormulaC26H25N3O4S
Molecular Weight475.57 g/mol
Exact Mass475.16
IUPAC NameN-(2-benzylsulfanylphenyl)-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCOc1ccc(C2(C)NC(=O)N(CC(=O)Nc3ccccc3SCc3ccccc3)C2=O)cc1
InChIInChI=1S/C26H25N3O4S/c1-26(19-12-14-20(33-2)15-13-19)24(31)29(25(32)28-26)16-23(30)27-21-10-6-7-11-22(21)34-17-18-8-4-3-5-9-18/h3-15H,16-17H2,1-2H3,(H,27,30)(H,28,32)
InChIKeyJZKFJRRDSOIBGH-UHFFFAOYSA-N
XLogP4.39
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.57
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-naphthalen-1-ylacetamide
CID 4881550
N-(2-iodophenyl)-2-[(4R)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 40857099
N-(2-fluorophenyl)-2-[(4R)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 40841028
2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(pyrrolidin-1-ylmethyl)phenyl]acetamide
CID 55677079
N-[2-(4-methoxyanilino)phenyl]-2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 40942598
2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(phenylcarbamoyl)acetamide
CID 55419227
2-[(4R)-4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 2585004
2-[(4R)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 40857215
N-(2,5-dimethylphenyl)-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 16547541
N-(2-methoxyphenyl)-2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2582081
(2S)-2-[[2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]propanoic acid
CID 119943115
N-[2-(difluoromethylsulfanyl)phenyl]-2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 24592823

Frequently Asked Questions

What is the IUPAC name of N-(2-benzylsulfanylphenyl)-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-(2-benzylsulfanylphenyl)-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide (CID 17431012) is N-(2-benzylsulfanylphenyl)-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-(2-benzylsulfanylphenyl)-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-(2-benzylsulfanylphenyl)-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide is COc1ccc(C2(C)NC(=O)N(CC(=O)Nc3ccccc3SCc3ccccc3)C2=O)cc1.
What is the InChIKey of N-(2-benzylsulfanylphenyl)-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The InChIKey is JZKFJRRDSOIBGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O4S/c1-26(19-12-14-20(33-2)15-13-19)24(31)29(25(32)28-26)16-23(30)27-21-10-6-7-11-22(21)34-17-18-8-4-3-5-9-18/h3-15H,16-17H2,1-2H3,(H,27,30)(H,28,32).
What are the key properties of N-(2-benzylsulfanylphenyl)-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
N-(2-benzylsulfanylphenyl)-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide has a molecular weight of 475.57 g/mol, XLogP of 4.39, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzylsulfanylphenyl)-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 17431012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).