2-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide

C19H22N4O4S — CID 75531875

IUPAC2-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide
SMILESCOc1ccc(CCN2C(=O)NC(CC(=O)NCCc3nccs3)C2=O)cc1
InChIInChI=1S/C19H22N4O4S/c1-27-14-4-2-13(3-5-14)7-10-23-18(25)15(22-19(23)26)12-16(24)20-8-6-17-21-9-11-28-17/h2-5,9,11,15H,6-8,10,12H2,1H3,(H,20,24)(H,22,26)
InChIKeyXLJDGDWIEOCBHJ-UHFFFAOYSA-N
MW402.48 g/mol
LogP1.36
Rot. Bonds9

About 2-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide

2-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide (PubChem CID 75531875) has the molecular formula C19H22N4O4S and a molecular weight of 402.48 g/mol. Its IUPAC name is 2-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide
PubChem CID75531875
Molecular FormulaC19H22N4O4S
Molecular Weight402.48 g/mol
Exact Mass402.14
IUPAC Name2-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide
SMILESCOc1ccc(CCN2C(=O)NC(CC(=O)NCCc3nccs3)C2=O)cc1
InChIInChI=1S/C19H22N4O4S/c1-27-14-4-2-13(3-5-14)7-10-23-18(25)15(22-19(23)26)12-16(24)20-8-6-17-21-9-11-28-17/h2-5,9,11,15H,6-8,10,12H2,1H3,(H,20,24)(H,22,26)
InChIKeyXLJDGDWIEOCBHJ-UHFFFAOYSA-N
XLogP1.36
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.48
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[(4R)-1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 99871503
2-[(4R)-1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-pyridin-2-ylacetamide
CID 99871448
2-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-propan-2-ylacetamide
CID 75356839
N-cyclopropyl-2-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 75531992
N-(furan-2-ylmethyl)-2-[(4S)-1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 75491512
N-(2-hydroxyethyl)-3-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]propanamide
CID 110210460
N-(2-hydroxyethyl)-2-[(4S)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 75491048
N-(1H-benzimidazol-2-ylmethyl)-2-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 86207018
N-[2-(6-fluoroindol-1-yl)ethyl]-2-[(4R)-1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 124906565
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 75356843
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-[(4S)-1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 91637144
N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-2-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 123132618

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide?
The IUPAC name of 2-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide (CID 75531875) is 2-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide?
The canonical SMILES for 2-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide is COc1ccc(CCN2C(=O)NC(CC(=O)NCCc3nccs3)C2=O)cc1.
What is the InChIKey of 2-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide?
The InChIKey is XLJDGDWIEOCBHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O4S/c1-27-14-4-2-13(3-5-14)7-10-23-18(25)15(22-19(23)26)12-16(24)20-8-6-17-21-9-11-28-17/h2-5,9,11,15H,6-8,10,12H2,1H3,(H,20,24)(H,22,26).
What are the key properties of 2-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide?
2-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide has a molecular weight of 402.48 g/mol, XLogP of 1.36, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide is sourced from PubChem (CID 75531875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).