2-[4-[[5-(4-chlorophenyl)sulfanylthiophen-2-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide

C22H16ClN3O3S2 — CID 3725262

IUPAC2-[4-[[5-(4-chlorophenyl)sulfanylthiophen-2-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide
SMILESO=C(CN1C(=O)NC(=Cc2ccc(Sc3ccc(Cl)cc3)s2)C1=O)Nc1ccccc1
InChIInChI=1S/C22H16ClN3O3S2/c23-14-6-8-16(9-7-14)30-20-11-10-17(31-20)12-18-21(28)26(22(29)25-18)13-19(27)24-15-4-2-1-3-5-15/h1-12H,13H2,(H,24,27)(H,25,29)
InChIKeyIEQBYVCGKXKUDO-UHFFFAOYSA-N
MW469.98 g/mol
LogP5.08
Rot. Bonds6

About 2-[4-[[5-(4-chlorophenyl)sulfanylthiophen-2-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide

2-[4-[[5-(4-chlorophenyl)sulfanylthiophen-2-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide (PubChem CID 3725262) has the molecular formula C22H16ClN3O3S2 and a molecular weight of 469.98 g/mol. Its IUPAC name is 2-[4-[[5-(4-chlorophenyl)sulfanylthiophen-2-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[4-[[5-(4-chlorophenyl)sulfanylthiophen-2-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide
PubChem CID3725262
Molecular FormulaC22H16ClN3O3S2
Molecular Weight469.98 g/mol
Exact Mass469.03
IUPAC Name2-[4-[[5-(4-chlorophenyl)sulfanylthiophen-2-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide
SMILESO=C(CN1C(=O)NC(=Cc2ccc(Sc3ccc(Cl)cc3)s2)C1=O)Nc1ccccc1
InChIInChI=1S/C22H16ClN3O3S2/c23-14-6-8-16(9-7-14)30-20-11-10-17(31-20)12-18-21(28)26(22(29)25-18)13-19(27)24-15-4-2-1-3-5-15/h1-12H,13H2,(H,24,27)(H,25,29)
InChIKeyIEQBYVCGKXKUDO-UHFFFAOYSA-N
XLogP5.08
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.98
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[(4Z)-4-[(4-chlorophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide
CID 19256098
N-(4-chlorophenyl)-2-[(5Z)-5-[[5-(4-chlorophenyl)sulfanylthiophen-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
CID 126028766
2-[4-[[4-(4-chlorophenyl)phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide
CID 77425794
N-(4-chlorophenyl)-2-[(4Z)-4-[(2-methylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
CID 16632724
2-[4-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-methylphenyl)acetamide
CID 3795061
N-(4-chlorophenyl)-2-[(4Z)-4-[(2,3-dichlorophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
CID 16632719
N-(4-chlorophenyl)-2-[(4Z)-4-[(E)-2-methyl-3-phenylprop-2-enylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
CID 16632725
N-(4-chlorophenyl)-2-[(4E)-4-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
CID 6392131
N-(4-fluorophenyl)-2-[(4Z)-4-[(2-fluorophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
CID 16632699
2-[(4Z)-4-[(4-chlorophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-methylphenyl)acetamide
CID 16632629
N-(4-chlorophenyl)-2-[2,5-dioxo-4-[(4-pyrrolidin-1-ylphenyl)methylidene]imidazolidin-1-yl]acetamide
CID 4009588
2-[(4Z)-4-[(5-methyl-1-phenylpyrrol-2-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide
CID 50856585

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[5-(4-chlorophenyl)sulfanylthiophen-2-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide?
The IUPAC name of 2-[4-[[5-(4-chlorophenyl)sulfanylthiophen-2-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide (CID 3725262) is 2-[4-[[5-(4-chlorophenyl)sulfanylthiophen-2-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[4-[[5-(4-chlorophenyl)sulfanylthiophen-2-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide?
The canonical SMILES for 2-[4-[[5-(4-chlorophenyl)sulfanylthiophen-2-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide is O=C(CN1C(=O)NC(=Cc2ccc(Sc3ccc(Cl)cc3)s2)C1=O)Nc1ccccc1.
What is the InChIKey of 2-[4-[[5-(4-chlorophenyl)sulfanylthiophen-2-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide?
The InChIKey is IEQBYVCGKXKUDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClN3O3S2/c23-14-6-8-16(9-7-14)30-20-11-10-17(31-20)12-18-21(28)26(22(29)25-18)13-19(27)24-15-4-2-1-3-5-15/h1-12H,13H2,(H,24,27)(H,25,29).
What are the key properties of 2-[4-[[5-(4-chlorophenyl)sulfanylthiophen-2-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide?
2-[4-[[5-(4-chlorophenyl)sulfanylthiophen-2-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide has a molecular weight of 469.98 g/mol, XLogP of 5.08, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[5-(4-chlorophenyl)sulfanylthiophen-2-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide is sourced from PubChem (CID 3725262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).