2-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide

C18H19N3O3S — CID 42898325

IUPAC2-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(CN1C(=O)NC(CCc2ccccc2)C1=O)NCc1cccs1
InChIInChI=1S/C18H19N3O3S/c22-16(19-11-14-7-4-10-25-14)12-21-17(23)15(20-18(21)24)9-8-13-5-2-1-3-6-13/h1-7,10,15H,8-9,11-12H2,(H,19,22)(H,20,24)
InChIKeyUTNBOKMHQSNOCT-UHFFFAOYSA-N
MW357.44 g/mol
LogP1.92
Rot. Bonds7

About 2-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide

2-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 42898325) has the molecular formula C18H19N3O3S and a molecular weight of 357.44 g/mol. Its IUPAC name is 2-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID42898325
Molecular FormulaC18H19N3O3S
Molecular Weight357.44 g/mol
Exact Mass357.11
IUPAC Name2-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(CN1C(=O)NC(CCc2ccccc2)C1=O)NCc1cccs1
InChIInChI=1S/C18H19N3O3S/c22-16(19-11-14-7-4-10-25-14)12-21-17(23)15(20-18(21)24)9-8-13-5-2-1-3-6-13/h1-7,10,15H,8-9,11-12H2,(H,19,22)(H,20,24)
InChIKeyUTNBOKMHQSNOCT-UHFFFAOYSA-N
XLogP1.92
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 51.92
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-[(4S)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-ethylacetamide
CID 2598023
2-[(4S)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 97061444
(5R)-3-(2-oxopropyl)-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 2598130
2-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 17474057
N-(2-chlorophenyl)-2-[(4R)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 2703995
N-(4-chlorophenyl)-2-[(4S)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 2704027
N-(2-tert-butylphenyl)-2-[(4R)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 2703909
2-[(4R)-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide
CID 28581004
2-[(4R)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide
CID 2633887
2-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-(4-ethylphenyl)acetamide
CID 17447614
2-[(4R)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 7916979
2-[(4S)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 2598211

Frequently Asked Questions

What is the IUPAC name of 2-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide (CID 42898325) is 2-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide is O=C(CN1C(=O)NC(CCc2ccccc2)C1=O)NCc1cccs1.
What is the InChIKey of 2-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is UTNBOKMHQSNOCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S/c22-16(19-11-14-7-4-10-25-14)12-21-17(23)15(20-18(21)24)9-8-13-5-2-1-3-6-13/h1-7,10,15H,8-9,11-12H2,(H,19,22)(H,20,24).
What are the key properties of 2-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide?
2-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 357.44 g/mol, XLogP of 1.92, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 42898325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).