N-[[5-[2-[(4S)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]thiophen-2-yl]methyl]acetamide

C20H20FN3O4S — CID 8521713

IUPACN-[[5-[2-[(4S)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]thiophen-2-yl]methyl]acetamide
SMILESCC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)c2ccc(CNC(C)=O)s2)C1=O
InChIInChI=1S/C20H20FN3O4S/c1-3-20(13-4-6-14(21)7-5-13)18(27)24(19(28)23-20)11-16(26)17-9-8-15(29-17)10-22-12(2)25/h4-9H,3,10-11H2,1-2H3,(H,22,25)(H,23,28)/t20-/m0/s1
InChIKeyRKCBHGPNHDLCHC-FQEVSTJZSA-N
MW417.46 g/mol
LogP2.56
Rot. Bonds7

About N-[[5-[2-[(4S)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]thiophen-2-yl]methyl]acetamide

N-[[5-[2-[(4S)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]thiophen-2-yl]methyl]acetamide (PubChem CID 8521713) has the molecular formula C20H20FN3O4S and a molecular weight of 417.46 g/mol. Its IUPAC name is N-[[5-[2-[(4S)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]thiophen-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[5-[2-[(4S)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]thiophen-2-yl]methyl]acetamide
PubChem CID8521713
Molecular FormulaC20H20FN3O4S
Molecular Weight417.46 g/mol
Exact Mass417.12
IUPAC NameN-[[5-[2-[(4S)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]thiophen-2-yl]methyl]acetamide
SMILESCC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)c2ccc(CNC(C)=O)s2)C1=O
InChIInChI=1S/C20H20FN3O4S/c1-3-20(13-4-6-14(21)7-5-13)18(27)24(19(28)23-20)11-16(26)17-9-8-15(29-17)10-22-12(2)25/h4-9H,3,10-11H2,1-2H3,(H,22,25)(H,23,28)/t20-/m0/s1
InChIKeyRKCBHGPNHDLCHC-FQEVSTJZSA-N
XLogP2.56
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.46
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[[5-[2-[4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]thiophen-2-yl]methyl]acetamide
CID 55373341
2-[(4S)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 7264635
N-ethyl-2-[[2-[(4R)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]amino]acetamide
CID 8571207
(5R)-5-ethyl-3-[2-(4-fluorophenyl)-2-oxoethyl]-5-phenylimidazolidine-2,4-dione
CID 7179651
N-(ethylcarbamoyl)-2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 4814167
2-[(4R)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-methylpropyl)acetamide
CID 7264595
N-[[5-[2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetyl]thiophen-2-yl]methyl]-2,2-dimethylpropanamide
CID 8522418
(5R)-5-ethyl-5-(4-fluorophenyl)-3-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]imidazolidine-2,4-dione
CID 2086402
2-[(4S)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 2117097
N,N-diethyl-2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 4804739
5-ethyl-5-(4-fluorophenyl)-3-[2-(3-methyl-1-benzothiophen-2-yl)-2-oxoethyl]imidazolidine-2,4-dione
CID 24521023
3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-5-ethyl-5-(4-fluorophenyl)imidazolidine-2,4-dione
CID 16615032

Frequently Asked Questions

What is the IUPAC name of N-[[5-[2-[(4S)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]thiophen-2-yl]methyl]acetamide?
The IUPAC name of N-[[5-[2-[(4S)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]thiophen-2-yl]methyl]acetamide (CID 8521713) is N-[[5-[2-[(4S)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]thiophen-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[5-[2-[(4S)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]thiophen-2-yl]methyl]acetamide?
The canonical SMILES for N-[[5-[2-[(4S)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]thiophen-2-yl]methyl]acetamide is CC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)c2ccc(CNC(C)=O)s2)C1=O.
What is the InChIKey of N-[[5-[2-[(4S)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]thiophen-2-yl]methyl]acetamide?
The InChIKey is RKCBHGPNHDLCHC-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H20FN3O4S/c1-3-20(13-4-6-14(21)7-5-13)18(27)24(19(28)23-20)11-16(26)17-9-8-15(29-17)10-22-12(2)25/h4-9H,3,10-11H2,1-2H3,(H,22,25)(H,23,28)/t20-/m0/s1.
What are the key properties of N-[[5-[2-[(4S)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]thiophen-2-yl]methyl]acetamide?
N-[[5-[2-[(4S)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]thiophen-2-yl]methyl]acetamide has a molecular weight of 417.46 g/mol, XLogP of 2.56, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[2-[(4S)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]thiophen-2-yl]methyl]acetamide is sourced from PubChem (CID 8521713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).