N-(4-methylphenyl)-2-[(4E)-4-[(5-methylthiophen-2-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide

C18H17N3O3S — CID 7326464

IUPACN-(4-methylphenyl)-2-[(4E)-4-[(5-methylthiophen-2-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCc1ccc(NC(=O)CN2C(=O)N/C(=C/c3ccc(C)s3)C2=O)cc1
InChIInChI=1S/C18H17N3O3S/c1-11-3-6-13(7-4-11)19-16(22)10-21-17(23)15(20-18(21)24)9-14-8-5-12(2)25-14/h3-9H,10H2,1-2H3,(H,19,22)(H,20,24)/b15-9+
InChIKeyPSZVWNUEDJXAMD-OQLLNIDSSA-N
MW355.42 g/mol
LogP2.90
Rot. Bonds4

About N-(4-methylphenyl)-2-[(4E)-4-[(5-methylthiophen-2-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide

N-(4-methylphenyl)-2-[(4E)-4-[(5-methylthiophen-2-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide (PubChem CID 7326464) has the molecular formula C18H17N3O3S and a molecular weight of 355.42 g/mol. Its IUPAC name is N-(4-methylphenyl)-2-[(4E)-4-[(5-methylthiophen-2-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-2-[(4E)-4-[(5-methylthiophen-2-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
PubChem CID7326464
Molecular FormulaC18H17N3O3S
Molecular Weight355.42 g/mol
Exact Mass355.10
IUPAC NameN-(4-methylphenyl)-2-[(4E)-4-[(5-methylthiophen-2-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCc1ccc(NC(=O)CN2C(=O)N/C(=C/c3ccc(C)s3)C2=O)cc1
InChIInChI=1S/C18H17N3O3S/c1-11-3-6-13(7-4-11)19-16(22)10-21-17(23)15(20-18(21)24)9-14-8-5-12(2)25-14/h3-9H,10H2,1-2H3,(H,19,22)(H,20,24)/b15-9+
InChIKeyPSZVWNUEDJXAMD-OQLLNIDSSA-N
XLogP2.90
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

3-(4-Fluorobenzyl)-5-(2-thienylmethylene)-2,4-imidazolidinedione
CID 900263
3-(4-Ethylphenyl)-1-[(3-methylthiophen-2-yl)methyl]-2-sulfanylideneimidazolidin-4-one
CID 4062129
3-(3-Methylphenyl)-1-(thien-2-ylmethyl)-2-thioxoimidazolidin-4-one
CID 4535712
3-(3,4-Dimethylphenyl)-1-(thien-2-ylmethyl)-2-thioxoimidazolidin-4-one
CID 4535713
N-(4-methylphenyl)-2-(thiophen-2-yl)pyrrolidine-1-carboxamide
CID 4881057
(5E)-3-phenyl-5-(thien-3-ylmethylene)-2-thioxoimidazolidin-4-one
CID 16188811
(5E)-3-[(2-fluorophenyl)methyl]-5-[(5-methylthiophen-2-yl)methylidene]imidazolidine-2,4-dione
CID 751975
5-Methyl-thiophene-2-carboxylic acid cyclohexylcarbamoylmethyl-p-tolyl-amide
CID 1442193
(E)-2-(4-oxo-5-(thiophen-2-ylmethylene)-2-thioxothiazolidin-3-yl)-N-(p-tolyl)acetamide
CID 1613195
(5E)-3-phenyl-5-(thiophen-3-ylmethylidene)imidazolidine-2,4-dione
CID 1815138
3-(3-Methylbenzyl)-5-[(5-methyl-2-thienyl)methylene]-2,4-imidazolidinedione
CID 1815730
(E)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-3-thiophen-2-ylprop-2-enamide
CID 2423320

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-2-[(4E)-4-[(5-methylthiophen-2-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-(4-methylphenyl)-2-[(4E)-4-[(5-methylthiophen-2-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide (CID 7326464) is N-(4-methylphenyl)-2-[(4E)-4-[(5-methylthiophen-2-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-(4-methylphenyl)-2-[(4E)-4-[(5-methylthiophen-2-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-(4-methylphenyl)-2-[(4E)-4-[(5-methylthiophen-2-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide is Cc1ccc(NC(=O)CN2C(=O)N/C(=C/c3ccc(C)s3)C2=O)cc1.
What is the InChIKey of N-(4-methylphenyl)-2-[(4E)-4-[(5-methylthiophen-2-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide?
The InChIKey is PSZVWNUEDJXAMD-OQLLNIDSSA-N. The full InChI is InChI=1S/C18H17N3O3S/c1-11-3-6-13(7-4-11)19-16(22)10-21-17(23)15(20-18(21)24)9-14-8-5-12(2)25-14/h3-9H,10H2,1-2H3,(H,19,22)(H,20,24)/b15-9+.
What are the key properties of N-(4-methylphenyl)-2-[(4E)-4-[(5-methylthiophen-2-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide?
N-(4-methylphenyl)-2-[(4E)-4-[(5-methylthiophen-2-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide has a molecular weight of 355.42 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-2-[(4E)-4-[(5-methylthiophen-2-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 7326464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).