(5R)-3-[2-(4-fluorophenyl)-2-oxoethyl]-5-methyl-5-thiophen-3-ylimidazolidine-2,4-dione

C16H13FN2O3S — CID 94812329

IUPAC(5R)-3-[2-(4-fluorophenyl)-2-oxoethyl]-5-methyl-5-thiophen-3-ylimidazolidine-2,4-dione
SMILESC[C@]1(c2ccsc2)NC(=O)N(CC(=O)c2ccc(F)cc2)C1=O
InChIInChI=1S/C16H13FN2O3S/c1-16(11-6-7-23-9-11)14(21)19(15(22)18-16)8-13(20)10-2-4-12(17)5-3-10/h2-7,9H,8H2,1H3,(H,18,22)/t16-/m1/s1
InChIKeyVPCWEKYXVRHFPG-MRXNPFEDSA-N
MW332.36 g/mol
LogP2.54
Rot. Bonds4

About (5R)-3-[2-(4-fluorophenyl)-2-oxoethyl]-5-methyl-5-thiophen-3-ylimidazolidine-2,4-dione

(5R)-3-[2-(4-fluorophenyl)-2-oxoethyl]-5-methyl-5-thiophen-3-ylimidazolidine-2,4-dione (PubChem CID 94812329) has the molecular formula C16H13FN2O3S and a molecular weight of 332.36 g/mol. Its IUPAC name is (5R)-3-[2-(4-fluorophenyl)-2-oxoethyl]-5-methyl-5-thiophen-3-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-3-[2-(4-fluorophenyl)-2-oxoethyl]-5-methyl-5-thiophen-3-ylimidazolidine-2,4-dione
PubChem CID94812329
Molecular FormulaC16H13FN2O3S
Molecular Weight332.36 g/mol
Exact Mass332.06
IUPAC Name(5R)-3-[2-(4-fluorophenyl)-2-oxoethyl]-5-methyl-5-thiophen-3-ylimidazolidine-2,4-dione
SMILESC[C@]1(c2ccsc2)NC(=O)N(CC(=O)c2ccc(F)cc2)C1=O
InChIInChI=1S/C16H13FN2O3S/c1-16(11-6-7-23-9-11)14(21)19(15(22)18-16)8-13(20)10-2-4-12(17)5-3-10/h2-7,9H,8H2,1H3,(H,18,22)/t16-/m1/s1
InChIKeyVPCWEKYXVRHFPG-MRXNPFEDSA-N
XLogP2.54
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(4-fluorophenyl)-5-methyl-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]imidazolidine-2,4-dione
CID 51259389
(5R)-3-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-5-methyl-5-thiophen-3-ylimidazolidine-2,4-dione
CID 95323284
N-(3-fluorophenyl)-2-(4-methyl-2,5-dioxo-4-thiophen-3-ylimidazolidin-1-yl)acetamide
CID 47092917
N-[(2-fluorophenyl)methyl]-2-[(4R)-4-methyl-2,5-dioxo-4-thiophen-3-ylimidazolidin-1-yl]acetamide
CID 52508482
(5S)-3-[2-(4-fluorophenyl)-2-oxoethyl]-5-methyl-5-(5-methylfuran-2-yl)imidazolidine-2,4-dione
CID 94814004
(5S)-3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione
CID 52529593
5-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-5-thiophen-3-ylimidazolidine-2,4-dione
CID 60617583
3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione
CID 18099222
5-(3,4-difluorophenyl)-5-methyl-3-[2-(4-methylphenyl)-2-oxoethyl]imidazolidine-2,4-dione
CID 24523461
N-(2-chlorophenyl)-2-(4-methyl-2,5-dioxo-4-thiophen-3-ylimidazolidin-1-yl)acetamide
CID 47092908
N-benzyl-N-methyl-2-[(4R)-4-methyl-2,5-dioxo-4-thiophen-3-ylimidazolidin-1-yl]acetamide
CID 52509192
N-benzhydryl-N-methyl-2-(4-methyl-2,5-dioxo-4-thiophen-3-ylimidazolidin-1-yl)acetamide
CID 60617468

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[2-(4-fluorophenyl)-2-oxoethyl]-5-methyl-5-thiophen-3-ylimidazolidine-2,4-dione?
The IUPAC name of (5R)-3-[2-(4-fluorophenyl)-2-oxoethyl]-5-methyl-5-thiophen-3-ylimidazolidine-2,4-dione (CID 94812329) is (5R)-3-[2-(4-fluorophenyl)-2-oxoethyl]-5-methyl-5-thiophen-3-ylimidazolidine-2,4-dione.
What is the SMILES notation for (5R)-3-[2-(4-fluorophenyl)-2-oxoethyl]-5-methyl-5-thiophen-3-ylimidazolidine-2,4-dione?
The canonical SMILES for (5R)-3-[2-(4-fluorophenyl)-2-oxoethyl]-5-methyl-5-thiophen-3-ylimidazolidine-2,4-dione is C[C@]1(c2ccsc2)NC(=O)N(CC(=O)c2ccc(F)cc2)C1=O.
What is the InChIKey of (5R)-3-[2-(4-fluorophenyl)-2-oxoethyl]-5-methyl-5-thiophen-3-ylimidazolidine-2,4-dione?
The InChIKey is VPCWEKYXVRHFPG-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H13FN2O3S/c1-16(11-6-7-23-9-11)14(21)19(15(22)18-16)8-13(20)10-2-4-12(17)5-3-10/h2-7,9H,8H2,1H3,(H,18,22)/t16-/m1/s1.
What are the key properties of (5R)-3-[2-(4-fluorophenyl)-2-oxoethyl]-5-methyl-5-thiophen-3-ylimidazolidine-2,4-dione?
(5R)-3-[2-(4-fluorophenyl)-2-oxoethyl]-5-methyl-5-thiophen-3-ylimidazolidine-2,4-dione has a molecular weight of 332.36 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[2-(4-fluorophenyl)-2-oxoethyl]-5-methyl-5-thiophen-3-ylimidazolidine-2,4-dione is sourced from PubChem (CID 94812329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).