N-[(2-fluorophenyl)methyl]-2-[(4R)-4-methyl-2,5-dioxo-4-thiophen-3-ylimidazolidin-1-yl]acetamide

C17H16FN3O3S — CID 52508482

IUPACN-[(2-fluorophenyl)methyl]-2-[(4R)-4-methyl-2,5-dioxo-4-thiophen-3-ylimidazolidin-1-yl]acetamide
SMILESC[C@]1(c2ccsc2)NC(=O)N(CC(=O)NCc2ccccc2F)C1=O
InChIInChI=1S/C17H16FN3O3S/c1-17(12-6-7-25-10-12)15(23)21(16(24)20-17)9-14(22)19-8-11-4-2-3-5-13(11)18/h2-7,10H,8-9H2,1H3,(H,19,22)(H,20,24)/t17-/m1/s1
InChIKeyOMXNQJGSKNEFAQ-QGZVFWFLSA-N
MW361.40 g/mol
LogP1.97
Rot. Bonds5

About N-[(2-fluorophenyl)methyl]-2-[(4R)-4-methyl-2,5-dioxo-4-thiophen-3-ylimidazolidin-1-yl]acetamide

N-[(2-fluorophenyl)methyl]-2-[(4R)-4-methyl-2,5-dioxo-4-thiophen-3-ylimidazolidin-1-yl]acetamide (PubChem CID 52508482) has the molecular formula C17H16FN3O3S and a molecular weight of 361.40 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-2-[(4R)-4-methyl-2,5-dioxo-4-thiophen-3-ylimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-2-[(4R)-4-methyl-2,5-dioxo-4-thiophen-3-ylimidazolidin-1-yl]acetamide
PubChem CID52508482
Molecular FormulaC17H16FN3O3S
Molecular Weight361.40 g/mol
Exact Mass361.09
IUPAC NameN-[(2-fluorophenyl)methyl]-2-[(4R)-4-methyl-2,5-dioxo-4-thiophen-3-ylimidazolidin-1-yl]acetamide
SMILESC[C@]1(c2ccsc2)NC(=O)N(CC(=O)NCc2ccccc2F)C1=O
InChIInChI=1S/C17H16FN3O3S/c1-17(12-6-7-25-10-12)15(23)21(16(24)20-17)9-14(22)19-8-11-4-2-3-5-13(11)18/h2-7,10H,8-9H2,1H3,(H,19,22)(H,20,24)/t17-/m1/s1
InChIKeyOMXNQJGSKNEFAQ-QGZVFWFLSA-N
XLogP1.97
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 51.97
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

N-[(2-fluorophenyl)methyl]-2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 18170358
2-[4-(2-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(2-fluorophenyl)methyl]acetamide
CID 55399827
N-[2-(2,3-dichlorophenyl)ethyl]-2-(4-methyl-2,5-dioxo-4-thiophen-3-ylimidazolidin-1-yl)acetamide
CID 86877804
N-(3-fluorophenyl)-2-(4-methyl-2,5-dioxo-4-thiophen-3-ylimidazolidin-1-yl)acetamide
CID 47092917
N-(2-chlorophenyl)-2-(4-methyl-2,5-dioxo-4-thiophen-3-ylimidazolidin-1-yl)acetamide
CID 47092908
(5R)-3-[2-(4-fluorophenyl)-2-oxoethyl]-5-methyl-5-thiophen-3-ylimidazolidine-2,4-dione
CID 94812329
3-[2-(2-fluorophenyl)-2-hydroxyethyl]-5-methyl-5-thiophen-3-ylimidazolidine-2,4-dione
CID 51106602
N-[2-(2-fluorophenyl)ethyl]-2-[(4S)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide
CID 8625366
N-benzyl-2-[(4R)-4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 40873139
N-(3-chloro-2-methylphenyl)-2-[(4R)-4-methyl-2,5-dioxo-4-thiophen-3-ylimidazolidin-1-yl]acetamide
CID 52508832
N-(3-chloro-2-methylphenyl)-2-[(4S)-4-methyl-2,5-dioxo-4-thiophen-3-ylimidazolidin-1-yl]acetamide
CID 52508833
(2-fluorophenyl)methyl 2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate
CID 7708875

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-2-[(4R)-4-methyl-2,5-dioxo-4-thiophen-3-ylimidazolidin-1-yl]acetamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-2-[(4R)-4-methyl-2,5-dioxo-4-thiophen-3-ylimidazolidin-1-yl]acetamide (CID 52508482) is N-[(2-fluorophenyl)methyl]-2-[(4R)-4-methyl-2,5-dioxo-4-thiophen-3-ylimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-2-[(4R)-4-methyl-2,5-dioxo-4-thiophen-3-ylimidazolidin-1-yl]acetamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-2-[(4R)-4-methyl-2,5-dioxo-4-thiophen-3-ylimidazolidin-1-yl]acetamide is C[C@]1(c2ccsc2)NC(=O)N(CC(=O)NCc2ccccc2F)C1=O.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-2-[(4R)-4-methyl-2,5-dioxo-4-thiophen-3-ylimidazolidin-1-yl]acetamide?
The InChIKey is OMXNQJGSKNEFAQ-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H16FN3O3S/c1-17(12-6-7-25-10-12)15(23)21(16(24)20-17)9-14(22)19-8-11-4-2-3-5-13(11)18/h2-7,10H,8-9H2,1H3,(H,19,22)(H,20,24)/t17-/m1/s1.
What are the key properties of N-[(2-fluorophenyl)methyl]-2-[(4R)-4-methyl-2,5-dioxo-4-thiophen-3-ylimidazolidin-1-yl]acetamide?
N-[(2-fluorophenyl)methyl]-2-[(4R)-4-methyl-2,5-dioxo-4-thiophen-3-ylimidazolidin-1-yl]acetamide has a molecular weight of 361.40 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-2-[(4R)-4-methyl-2,5-dioxo-4-thiophen-3-ylimidazolidin-1-yl]acetamide is sourced from PubChem (CID 52508482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).