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

C16H14ClN3O3S — CID 47092908

IUPACN-(2-chlorophenyl)-2-(4-methyl-2,5-dioxo-4-thiophen-3-ylimidazolidin-1-yl)acetamide
SMILESCC1(c2ccsc2)NC(=O)N(CC(=O)Nc2ccccc2Cl)C1=O
InChIInChI=1S/C16H14ClN3O3S/c1-16(10-6-7-24-9-10)14(22)20(15(23)19-16)8-13(21)18-12-5-3-2-4-11(12)17/h2-7,9H,8H2,1H3,(H,18,21)(H,19,23)
InChIKeyVLDVUBRULRXBNU-UHFFFAOYSA-N
MW363.83 g/mol
LogP2.81
Rot. Bonds4

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

N-(2-chlorophenyl)-2-(4-methyl-2,5-dioxo-4-thiophen-3-ylimidazolidin-1-yl)acetamide (PubChem CID 47092908) has the molecular formula C16H14ClN3O3S and a molecular weight of 363.83 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-(4-methyl-2,5-dioxo-4-thiophen-3-ylimidazolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-(4-methyl-2,5-dioxo-4-thiophen-3-ylimidazolidin-1-yl)acetamide
PubChem CID47092908
Molecular FormulaC16H14ClN3O3S
Molecular Weight363.83 g/mol
Exact Mass363.04
IUPAC NameN-(2-chlorophenyl)-2-(4-methyl-2,5-dioxo-4-thiophen-3-ylimidazolidin-1-yl)acetamide
SMILESCC1(c2ccsc2)NC(=O)N(CC(=O)Nc2ccccc2Cl)C1=O
InChIInChI=1S/C16H14ClN3O3S/c1-16(10-6-7-24-9-10)14(22)20(15(23)19-16)8-13(21)18-12-5-3-2-4-11(12)17/h2-7,9H,8H2,1H3,(H,18,21)(H,19,23)
InChIKeyVLDVUBRULRXBNU-UHFFFAOYSA-N
XLogP2.81
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.83
LogP ≤ 52.81
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-chloro-2-methylphenyl)-2-[(4S)-4-methyl-2,5-dioxo-4-thiophen-3-ylimidazolidin-1-yl]acetamide
CID 52508833
N-(3-chloro-2-methylphenyl)-2-[(4R)-4-methyl-2,5-dioxo-4-thiophen-3-ylimidazolidin-1-yl]acetamide
CID 52508832
N-(2-chlorophenyl)-2-[(4R)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7962311
2-[4-(2-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-chlorophenyl)acetamide
CID 55304277
N-(2-chlorophenyl)-2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 4966212
N-(2-chlorophenyl)-2-[(4R)-4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7180066
N-[2-(2,3-dichlorophenyl)ethyl]-2-(4-methyl-2,5-dioxo-4-thiophen-3-ylimidazolidin-1-yl)acetamide
CID 86877804
N-(2-chlorophenyl)-2-[(4S)-4-methyl-4-(5-methylfuran-2-yl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 52512676
N-(3-fluorophenyl)-2-(4-methyl-2,5-dioxo-4-thiophen-3-ylimidazolidin-1-yl)acetamide
CID 47092917
N-(2-methoxy-5-methylphenyl)-2-[(4R)-4-methyl-2,5-dioxo-4-thiophen-3-ylimidazolidin-1-yl]acetamide
CID 52507734
N-(2-chlorophenyl)-2-[(4R)-4-(2,5-dimethylfuran-3-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 52516808
N-[(2-fluorophenyl)methyl]-2-[(4R)-4-methyl-2,5-dioxo-4-thiophen-3-ylimidazolidin-1-yl]acetamide
CID 52508482

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-(4-methyl-2,5-dioxo-4-thiophen-3-ylimidazolidin-1-yl)acetamide?
The IUPAC name of N-(2-chlorophenyl)-2-(4-methyl-2,5-dioxo-4-thiophen-3-ylimidazolidin-1-yl)acetamide (CID 47092908) is N-(2-chlorophenyl)-2-(4-methyl-2,5-dioxo-4-thiophen-3-ylimidazolidin-1-yl)acetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-(4-methyl-2,5-dioxo-4-thiophen-3-ylimidazolidin-1-yl)acetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-(4-methyl-2,5-dioxo-4-thiophen-3-ylimidazolidin-1-yl)acetamide is CC1(c2ccsc2)NC(=O)N(CC(=O)Nc2ccccc2Cl)C1=O.
What is the InChIKey of N-(2-chlorophenyl)-2-(4-methyl-2,5-dioxo-4-thiophen-3-ylimidazolidin-1-yl)acetamide?
The InChIKey is VLDVUBRULRXBNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O3S/c1-16(10-6-7-24-9-10)14(22)20(15(23)19-16)8-13(21)18-12-5-3-2-4-11(12)17/h2-7,9H,8H2,1H3,(H,18,21)(H,19,23).
What are the key properties of N-(2-chlorophenyl)-2-(4-methyl-2,5-dioxo-4-thiophen-3-ylimidazolidin-1-yl)acetamide?
N-(2-chlorophenyl)-2-(4-methyl-2,5-dioxo-4-thiophen-3-ylimidazolidin-1-yl)acetamide has a molecular weight of 363.83 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-(4-methyl-2,5-dioxo-4-thiophen-3-ylimidazolidin-1-yl)acetamide is sourced from PubChem (CID 47092908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).