N-(3-chloro-4-methylphenyl)-2-(4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl)acetamide

C17H16ClN3O3S — CID 51288489

IUPACN-(3-chloro-4-methylphenyl)-2-(4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl)acetamide
SMILESCc1ccc(NC(=O)CN2C(=O)NC(C)(c3cccs3)C2=O)cc1Cl
InChIInChI=1S/C17H16ClN3O3S/c1-10-5-6-11(8-12(10)18)19-14(22)9-21-15(23)17(2,20-16(21)24)13-4-3-7-25-13/h3-8H,9H2,1-2H3,(H,19,22)(H,20,24)
InChIKeyZMPBBWUKNTXTKU-UHFFFAOYSA-N
MW377.85 g/mol
LogP3.12
Rot. Bonds4

About N-(3-chloro-4-methylphenyl)-2-(4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl)acetamide

N-(3-chloro-4-methylphenyl)-2-(4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl)acetamide (PubChem CID 51288489) has the molecular formula C17H16ClN3O3S and a molecular weight of 377.85 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-2-(4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-2-(4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl)acetamide
PubChem CID51288489
Molecular FormulaC17H16ClN3O3S
Molecular Weight377.85 g/mol
Exact Mass377.06
IUPAC NameN-(3-chloro-4-methylphenyl)-2-(4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl)acetamide
SMILESCc1ccc(NC(=O)CN2C(=O)NC(C)(c3cccs3)C2=O)cc1Cl
InChIInChI=1S/C17H16ClN3O3S/c1-10-5-6-11(8-12(10)18)19-14(22)9-21-15(23)17(2,20-16(21)24)13-4-3-7-25-13/h3-8H,9H2,1-2H3,(H,19,22)(H,20,24)
InChIKeyZMPBBWUKNTXTKU-UHFFFAOYSA-N
XLogP3.12
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.85
LogP ≤ 53.12
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

N-(3-chlorophenyl)-2-(4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl)acetamide
CID 51288507
N-(3-chloro-4-methylphenyl)-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 2710976
N-[(3-chlorophenyl)methyl]-2-(4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl)acetamide
CID 51288559
2-(4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl)-N-pentylacetamide
CID 51288708
N-[4-[2-(4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl)acetyl]phenyl]butanamide
CID 51288680
2-[(4S)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide
CID 2582952
2-[(4S)-4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl]-N-(2-methylpropyl)acetamide
CID 94510412
N-(4-fluorophenyl)-3-[(4S)-4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl]propanamide
CID 52514635
N-(4-fluorophenyl)-3-(4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl)propanamide
CID 51128509
N-(4-fluorophenyl)-3-[(4R)-4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl]propanamide
CID 52514634
N-(2,4-dimethoxyphenyl)-2-(4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl)acetamide
CID 51288553
N-(2-benzylphenyl)-2-(4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl)acetamide
CID 55480274

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-2-(4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl)acetamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-2-(4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl)acetamide (CID 51288489) is N-(3-chloro-4-methylphenyl)-2-(4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl)acetamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-2-(4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl)acetamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-2-(4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl)acetamide is Cc1ccc(NC(=O)CN2C(=O)NC(C)(c3cccs3)C2=O)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-2-(4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl)acetamide?
The InChIKey is ZMPBBWUKNTXTKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O3S/c1-10-5-6-11(8-12(10)18)19-14(22)9-21-15(23)17(2,20-16(21)24)13-4-3-7-25-13/h3-8H,9H2,1-2H3,(H,19,22)(H,20,24).
What are the key properties of N-(3-chloro-4-methylphenyl)-2-(4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl)acetamide?
N-(3-chloro-4-methylphenyl)-2-(4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl)acetamide has a molecular weight of 377.85 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-2-(4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl)acetamide is sourced from PubChem (CID 51288489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).