2-(4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl)-N-[(4-methylphenyl)-thiophen-2-ylmethyl]acetamide

C28H25N3O3S — CID 60601630

IUPAC2-(4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl)-N-[(4-methylphenyl)-thiophen-2-ylmethyl]acetamide
SMILESCc1ccc(C(NC(=O)CN2C(=O)NC(C)(c3cccc4ccccc34)C2=O)c2cccs2)cc1
InChIInChI=1S/C28H25N3O3S/c1-18-12-14-20(15-13-18)25(23-11-6-16-35-23)29-24(32)17-31-26(33)28(2,30-27(31)34)22-10-5-8-19-7-3-4-9-21(19)22/h3-16,25H,17H2,1-2H3,(H,29,32)(H,30,34)
InChIKeySQYGOCXRJFBDOC-UHFFFAOYSA-N
MW483.59 g/mol
LogP4.88
Rot. Bonds6

About 2-(4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl)-N-[(4-methylphenyl)-thiophen-2-ylmethyl]acetamide

2-(4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl)-N-[(4-methylphenyl)-thiophen-2-ylmethyl]acetamide (PubChem CID 60601630) has the molecular formula C28H25N3O3S and a molecular weight of 483.59 g/mol. Its IUPAC name is 2-(4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl)-N-[(4-methylphenyl)-thiophen-2-ylmethyl]acetamide.

Molecular Properties

Compound Name2-(4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl)-N-[(4-methylphenyl)-thiophen-2-ylmethyl]acetamide
PubChem CID60601630
Molecular FormulaC28H25N3O3S
Molecular Weight483.59 g/mol
Exact Mass483.16
IUPAC Name2-(4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl)-N-[(4-methylphenyl)-thiophen-2-ylmethyl]acetamide
SMILESCc1ccc(C(NC(=O)CN2C(=O)NC(C)(c3cccc4ccccc34)C2=O)c2cccs2)cc1
InChIInChI=1S/C28H25N3O3S/c1-18-12-14-20(15-13-18)25(23-11-6-16-35-23)29-24(32)17-31-26(33)28(2,30-27(31)34)22-10-5-8-19-7-3-4-9-21(19)22/h3-16,25H,17H2,1-2H3,(H,29,32)(H,30,34)
InChIKeySQYGOCXRJFBDOC-UHFFFAOYSA-N
XLogP4.88
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.59
LogP ≤ 54.88
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-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(4-methylphenyl)-thiophen-2-ylmethyl]acetamide
CID 18775060
2-[4-(3-cyanophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(4-methylphenyl)-thiophen-2-ylmethyl]acetamide
CID 47092882
N-butan-2-yl-2-(4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 4790385
2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)-N-[(4-methylphenyl)-thiophen-2-ylmethyl]acetamide
CID 46824856
2-[(4S)-4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(R)-phenyl(thiophen-2-yl)methyl]acetamide
CID 41195748
N-(2,6-dimethylphenyl)-2-[(4R)-4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7242865
N-(2-chlorophenyl)-2-[(4R)-4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7180066
2-(4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl)-N-[2-(4-methylphenoxy)phenyl]acetamide
CID 46665850
2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide
CID 8576444
2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide
CID 41138688
3-[2-[2,5-dimethyl-1-(2-thiophen-2-ylethyl)pyrrol-3-yl]-2-oxoethyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione
CID 43028359
2-(4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl)-N-(propylcarbamoyl)acetamide
CID 18777504

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl)-N-[(4-methylphenyl)-thiophen-2-ylmethyl]acetamide?
The IUPAC name of 2-(4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl)-N-[(4-methylphenyl)-thiophen-2-ylmethyl]acetamide (CID 60601630) is 2-(4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl)-N-[(4-methylphenyl)-thiophen-2-ylmethyl]acetamide.
What is the SMILES notation for 2-(4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl)-N-[(4-methylphenyl)-thiophen-2-ylmethyl]acetamide?
The canonical SMILES for 2-(4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl)-N-[(4-methylphenyl)-thiophen-2-ylmethyl]acetamide is Cc1ccc(C(NC(=O)CN2C(=O)NC(C)(c3cccc4ccccc34)C2=O)c2cccs2)cc1.
What is the InChIKey of 2-(4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl)-N-[(4-methylphenyl)-thiophen-2-ylmethyl]acetamide?
The InChIKey is SQYGOCXRJFBDOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N3O3S/c1-18-12-14-20(15-13-18)25(23-11-6-16-35-23)29-24(32)17-31-26(33)28(2,30-27(31)34)22-10-5-8-19-7-3-4-9-21(19)22/h3-16,25H,17H2,1-2H3,(H,29,32)(H,30,34).
What are the key properties of 2-(4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl)-N-[(4-methylphenyl)-thiophen-2-ylmethyl]acetamide?
2-(4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl)-N-[(4-methylphenyl)-thiophen-2-ylmethyl]acetamide has a molecular weight of 483.59 g/mol, XLogP of 4.88, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl)-N-[(4-methylphenyl)-thiophen-2-ylmethyl]acetamide is sourced from PubChem (CID 60601630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).