N-(3-fluorophenyl)-2-[(4R)-1-(3-methoxyphenyl)-2,5-dioxo-3-(thiophen-2-ylmethyl)imidazolidin-4-yl]acetamide

C23H20FN3O4S — CID 41284920

IUPACN-(3-fluorophenyl)-2-[(4R)-1-(3-methoxyphenyl)-2,5-dioxo-3-(thiophen-2-ylmethyl)imidazolidin-4-yl]acetamide
SMILESCOc1cccc(N2C(=O)[C@@H](CC(=O)Nc3cccc(F)c3)N(Cc3cccs3)C2=O)c1
InChIInChI=1S/C23H20FN3O4S/c1-31-18-8-3-7-17(12-18)27-22(29)20(26(23(27)30)14-19-9-4-10-32-19)13-21(28)25-16-6-2-5-15(24)11-16/h2-12,20H,13-14H2,1H3,(H,25,28)/t20-/m1/s1
InChIKeyINNLIMYTRUXGDT-HXUWFJFHSA-N
MW453.50 g/mol
LogP4.26
Rot. Bonds7

About N-(3-fluorophenyl)-2-[(4R)-1-(3-methoxyphenyl)-2,5-dioxo-3-(thiophen-2-ylmethyl)imidazolidin-4-yl]acetamide

N-(3-fluorophenyl)-2-[(4R)-1-(3-methoxyphenyl)-2,5-dioxo-3-(thiophen-2-ylmethyl)imidazolidin-4-yl]acetamide (PubChem CID 41284920) has the molecular formula C23H20FN3O4S and a molecular weight of 453.50 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-[(4R)-1-(3-methoxyphenyl)-2,5-dioxo-3-(thiophen-2-ylmethyl)imidazolidin-4-yl]acetamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-[(4R)-1-(3-methoxyphenyl)-2,5-dioxo-3-(thiophen-2-ylmethyl)imidazolidin-4-yl]acetamide
PubChem CID41284920
Molecular FormulaC23H20FN3O4S
Molecular Weight453.50 g/mol
Exact Mass453.12
IUPAC NameN-(3-fluorophenyl)-2-[(4R)-1-(3-methoxyphenyl)-2,5-dioxo-3-(thiophen-2-ylmethyl)imidazolidin-4-yl]acetamide
SMILESCOc1cccc(N2C(=O)[C@@H](CC(=O)Nc3cccc(F)c3)N(Cc3cccs3)C2=O)c1
InChIInChI=1S/C23H20FN3O4S/c1-31-18-8-3-7-17(12-18)27-22(29)20(26(23(27)30)14-19-9-4-10-32-19)13-21(28)25-16-6-2-5-15(24)11-16/h2-12,20H,13-14H2,1H3,(H,25,28)/t20-/m1/s1
InChIKeyINNLIMYTRUXGDT-HXUWFJFHSA-N
XLogP4.26
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.50
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-fluorophenyl)-2-[(4R)-1-(3-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 41284859
N-(3-fluorophenyl)-2-[1-(4-fluorophenyl)-3-[(3-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 46276958
2-[1-(4-chlorophenyl)-3-[(3-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(3-fluorophenyl)acetamide
CID 46276974
2-[1-(3-chlorophenyl)-2,5-dioxo-3-(thiophen-2-ylmethyl)imidazolidin-4-yl]-N-phenylacetamide
CID 19584942
ethyl 3-[[2-[1-(4-fluorophenyl)-2,5-dioxo-3-(thiophen-2-ylmethyl)imidazolidin-4-yl]acetyl]amino]benzoate
CID 2981583
ethyl 3-[[2-[(4R)-1-(4-fluorophenyl)-2,5-dioxo-3-(thiophen-2-ylmethyl)imidazolidin-4-yl]acetyl]amino]benzoate
CID 26526274
methyl 3-[[2-[(4S)-1-(4-methylphenyl)-2,5-dioxo-3-(thiophen-2-ylmethyl)imidazolidin-4-yl]acetyl]amino]benzoate
CID 92525286
N-(4-ethylphenyl)-2-[(4R)-3-[(4-fluorophenyl)methyl]-1-(3-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide
CID 40774460
N-(3-fluorophenyl)-2-[(4S)-3-(2-methoxyethyl)-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide
CID 7268890
N-(3-fluorophenyl)-2-[3-(2-methoxyethyl)-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide
CID 3165086
ethyl 3-[[2-[(4S)-1-(3-methylphenyl)-2,5-dioxo-3-(thiophen-2-ylmethyl)imidazolidin-4-yl]acetyl]amino]benzoate
CID 41284880
N-(4-ethylphenyl)-2-[(4R)-1-(3-methylphenyl)-2,5-dioxo-3-(thiophen-2-ylmethyl)imidazolidin-4-yl]acetamide
CID 40774483

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-[(4R)-1-(3-methoxyphenyl)-2,5-dioxo-3-(thiophen-2-ylmethyl)imidazolidin-4-yl]acetamide?
The IUPAC name of N-(3-fluorophenyl)-2-[(4R)-1-(3-methoxyphenyl)-2,5-dioxo-3-(thiophen-2-ylmethyl)imidazolidin-4-yl]acetamide (CID 41284920) is N-(3-fluorophenyl)-2-[(4R)-1-(3-methoxyphenyl)-2,5-dioxo-3-(thiophen-2-ylmethyl)imidazolidin-4-yl]acetamide.
What is the SMILES notation for N-(3-fluorophenyl)-2-[(4R)-1-(3-methoxyphenyl)-2,5-dioxo-3-(thiophen-2-ylmethyl)imidazolidin-4-yl]acetamide?
The canonical SMILES for N-(3-fluorophenyl)-2-[(4R)-1-(3-methoxyphenyl)-2,5-dioxo-3-(thiophen-2-ylmethyl)imidazolidin-4-yl]acetamide is COc1cccc(N2C(=O)[C@@H](CC(=O)Nc3cccc(F)c3)N(Cc3cccs3)C2=O)c1.
What is the InChIKey of N-(3-fluorophenyl)-2-[(4R)-1-(3-methoxyphenyl)-2,5-dioxo-3-(thiophen-2-ylmethyl)imidazolidin-4-yl]acetamide?
The InChIKey is INNLIMYTRUXGDT-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H20FN3O4S/c1-31-18-8-3-7-17(12-18)27-22(29)20(26(23(27)30)14-19-9-4-10-32-19)13-21(28)25-16-6-2-5-15(24)11-16/h2-12,20H,13-14H2,1H3,(H,25,28)/t20-/m1/s1.
What are the key properties of N-(3-fluorophenyl)-2-[(4R)-1-(3-methoxyphenyl)-2,5-dioxo-3-(thiophen-2-ylmethyl)imidazolidin-4-yl]acetamide?
N-(3-fluorophenyl)-2-[(4R)-1-(3-methoxyphenyl)-2,5-dioxo-3-(thiophen-2-ylmethyl)imidazolidin-4-yl]acetamide has a molecular weight of 453.50 g/mol, XLogP of 4.26, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2-[(4R)-1-(3-methoxyphenyl)-2,5-dioxo-3-(thiophen-2-ylmethyl)imidazolidin-4-yl]acetamide is sourced from PubChem (CID 41284920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).