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

C17H16FN3O3S — CID 52514634

IUPACN-(4-fluorophenyl)-3-[(4R)-4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl]propanamide
SMILESC[C@@]1(c2cccs2)NC(=O)N(CCC(=O)Nc2ccc(F)cc2)C1=O
InChIInChI=1S/C17H16FN3O3S/c1-17(13-3-2-10-25-13)15(23)21(16(24)20-17)9-8-14(22)19-12-6-4-11(18)5-7-12/h2-7,10H,8-9H2,1H3,(H,19,22)(H,20,24)/t17-/m0/s1
InChIKeyDOYGKOBBVIWUDX-KRWDZBQOSA-N
MW361.40 g/mol
LogP2.68
Rot. Bonds5

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

N-(4-fluorophenyl)-3-[(4R)-4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl]propanamide (PubChem CID 52514634) has the molecular formula C17H16FN3O3S and a molecular weight of 361.40 g/mol. Its IUPAC name is N-(4-fluorophenyl)-3-[(4R)-4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl]propanamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-3-[(4R)-4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl]propanamide
PubChem CID52514634
Molecular FormulaC17H16FN3O3S
Molecular Weight361.40 g/mol
Exact Mass361.09
IUPAC NameN-(4-fluorophenyl)-3-[(4R)-4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl]propanamide
SMILESC[C@@]1(c2cccs2)NC(=O)N(CCC(=O)Nc2ccc(F)cc2)C1=O
InChIInChI=1S/C17H16FN3O3S/c1-17(13-3-2-10-25-13)15(23)21(16(24)20-17)9-8-14(22)19-12-6-4-11(18)5-7-12/h2-7,10H,8-9H2,1H3,(H,19,22)(H,20,24)/t17-/m0/s1
InChIKeyDOYGKOBBVIWUDX-KRWDZBQOSA-N
XLogP2.68
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 ≤ 52.68
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-(4-fluorophenyl)-3-(4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl)propanamide
CID 51128509
N-(4-fluorophenyl)-3-[(4S)-4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl]propanamide
CID 52514635
N-[4-[2-(4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl)acetyl]phenyl]butanamide
CID 51288680
N-(4-acetylphenyl)-3-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]propanamide
CID 55482120
N-(benzylcarbamoyl)-3-(4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl)propanamide
CID 71900241
3-[(4R)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-fluorophenyl)propanamide
CID 51954629
N-(3-chloro-4-methylphenyl)-2-(4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl)acetamide
CID 51288489
N-(3-chlorophenyl)-2-(4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl)acetamide
CID 51288507
(5S)-3-ethyl-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione
CID 92591093
(5S)-5-methyl-3-(3-methylbutyl)-5-thiophen-2-ylimidazolidine-2,4-dione
CID 95142893
N-(1-cyclopropylethyl)-2-(4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl)acetamide
CID 51288712
3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[4-(4-fluorophenyl)phenyl]propanamide
CID 46969922

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-3-[(4R)-4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl]propanamide?
The IUPAC name of N-(4-fluorophenyl)-3-[(4R)-4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl]propanamide (CID 52514634) is N-(4-fluorophenyl)-3-[(4R)-4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl]propanamide.
What is the SMILES notation for N-(4-fluorophenyl)-3-[(4R)-4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl]propanamide?
The canonical SMILES for N-(4-fluorophenyl)-3-[(4R)-4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl]propanamide is C[C@@]1(c2cccs2)NC(=O)N(CCC(=O)Nc2ccc(F)cc2)C1=O.
What is the InChIKey of N-(4-fluorophenyl)-3-[(4R)-4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl]propanamide?
The InChIKey is DOYGKOBBVIWUDX-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H16FN3O3S/c1-17(13-3-2-10-25-13)15(23)21(16(24)20-17)9-8-14(22)19-12-6-4-11(18)5-7-12/h2-7,10H,8-9H2,1H3,(H,19,22)(H,20,24)/t17-/m0/s1.
What are the key properties of N-(4-fluorophenyl)-3-[(4R)-4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl]propanamide?
N-(4-fluorophenyl)-3-[(4R)-4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl]propanamide has a molecular weight of 361.40 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-3-[(4R)-4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl]propanamide is sourced from PubChem (CID 52514634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).