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

C20H19F2N3O4S — CID 55450329

IUPACN-[2-[5-[2-[4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]thiophen-2-yl]ethyl]acetamide
SMILESCC(=O)NCCc1ccc(C(=O)CN2C(=O)NC(C)(c3cc(F)ccc3F)C2=O)s1
InChIInChI=1S/C20H19F2N3O4S/c1-11(26)23-8-7-13-4-6-17(30-13)16(27)10-25-18(28)20(2,24-19(25)29)14-9-12(21)3-5-15(14)22/h3-6,9H,7-8,10H2,1-2H3,(H,23,26)(H,24,29)
InChIKeyZWZSAOKWEXWBCZ-UHFFFAOYSA-N
MW435.45 g/mol
LogP2.35
Rot. Bonds7

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

N-[2-[5-[2-[4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]thiophen-2-yl]ethyl]acetamide (PubChem CID 55450329) has the molecular formula C20H19F2N3O4S and a molecular weight of 435.45 g/mol. Its IUPAC name is N-[2-[5-[2-[4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]thiophen-2-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[5-[2-[4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]thiophen-2-yl]ethyl]acetamide
PubChem CID55450329
Molecular FormulaC20H19F2N3O4S
Molecular Weight435.45 g/mol
Exact Mass435.11
IUPAC NameN-[2-[5-[2-[4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]thiophen-2-yl]ethyl]acetamide
SMILESCC(=O)NCCc1ccc(C(=O)CN2C(=O)NC(C)(c3cc(F)ccc3F)C2=O)s1
InChIInChI=1S/C20H19F2N3O4S/c1-11(26)23-8-7-13-4-6-17(30-13)16(27)10-25-18(28)20(2,24-19(25)29)14-9-12(21)3-5-15(14)22/h3-6,9H,7-8,10H2,1-2H3,(H,23,26)(H,24,29)
InChIKeyZWZSAOKWEXWBCZ-UHFFFAOYSA-N
XLogP2.35
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.45
LogP ≤ 52.35
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

(5R)-5-(2,5-difluorophenyl)-3-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 8597585
(5S)-5-(2,5-difluorophenyl)-5-methyl-3-(2-oxo-2-thiophen-2-ylethyl)imidazolidine-2,4-dione
CID 7561979
methyl 2-[4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 78643753
(5S)-5-(2,5-difluorophenyl)-3-[2-(2-fluorophenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 7561985
N-[(4-chlorophenyl)methyl]-2-[(4R)-4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7801238
(5S)-3-[2-(4-bromophenyl)-2-oxoethyl]-5-(2,5-difluorophenyl)-5-methylimidazolidine-2,4-dione
CID 41142691
2-[(4R)-4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-methoxyethyl)acetamide
CID 7801352
(5S)-5-(2,5-difluorophenyl)-5-methyl-3-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]imidazolidine-2,4-dione
CID 7801414
(5R)-3-[2-(2-chlorophenyl)-2-oxoethyl]-5-(2,5-difluorophenyl)-5-methylimidazolidine-2,4-dione
CID 7562039
N-[[5-[2-[4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]thiophen-2-yl]methyl]acetamide
CID 55373341
6-amino-5-[2-[4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]-1,3-dimethylpyrimidine-2,4-dione
CID 24584907
5-(2,5-difluorophenyl)-5-methyl-3-(trimethylsilylmethyl)imidazolidine-2,4-dione
CID 56529238

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-[2-[4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]thiophen-2-yl]ethyl]acetamide?
The IUPAC name of N-[2-[5-[2-[4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]thiophen-2-yl]ethyl]acetamide (CID 55450329) is N-[2-[5-[2-[4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]thiophen-2-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[5-[2-[4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]thiophen-2-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[5-[2-[4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]thiophen-2-yl]ethyl]acetamide is CC(=O)NCCc1ccc(C(=O)CN2C(=O)NC(C)(c3cc(F)ccc3F)C2=O)s1.
What is the InChIKey of N-[2-[5-[2-[4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]thiophen-2-yl]ethyl]acetamide?
The InChIKey is ZWZSAOKWEXWBCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N3O4S/c1-11(26)23-8-7-13-4-6-17(30-13)16(27)10-25-18(28)20(2,24-19(25)29)14-9-12(21)3-5-15(14)22/h3-6,9H,7-8,10H2,1-2H3,(H,23,26)(H,24,29).
What are the key properties of N-[2-[5-[2-[4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]thiophen-2-yl]ethyl]acetamide?
N-[2-[5-[2-[4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]thiophen-2-yl]ethyl]acetamide has a molecular weight of 435.45 g/mol, XLogP of 2.35, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-[2-[4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]thiophen-2-yl]ethyl]acetamide is sourced from PubChem (CID 55450329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).