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

C16H13FN2O3S — CID 41074060

IUPAC(5S)-3-[2-(2-fluorophenyl)-2-oxoethyl]-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione
SMILESC[C@]1(c2cccs2)NC(=O)N(CC(=O)c2ccccc2F)C1=O
InChIInChI=1S/C16H13FN2O3S/c1-16(13-7-4-8-23-13)14(21)19(15(22)18-16)9-12(20)10-5-2-3-6-11(10)17/h2-8H,9H2,1H3,(H,18,22)/t16-/m1/s1
InChIKeyGAWDUJDEHAGVRP-MRXNPFEDSA-N
MW332.36 g/mol
LogP2.54
Rot. Bonds4

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

(5S)-3-[2-(2-fluorophenyl)-2-oxoethyl]-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione (PubChem CID 41074060) has the molecular formula C16H13FN2O3S and a molecular weight of 332.36 g/mol. Its IUPAC name is (5S)-3-[2-(2-fluorophenyl)-2-oxoethyl]-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-3-[2-(2-fluorophenyl)-2-oxoethyl]-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione
PubChem CID41074060
Molecular FormulaC16H13FN2O3S
Molecular Weight332.36 g/mol
Exact Mass332.06
IUPAC Name(5S)-3-[2-(2-fluorophenyl)-2-oxoethyl]-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione
SMILESC[C@]1(c2cccs2)NC(=O)N(CC(=O)c2ccccc2F)C1=O
InChIInChI=1S/C16H13FN2O3S/c1-16(13-7-4-8-23-13)14(21)19(15(22)18-16)9-12(20)10-5-2-3-6-11(10)17/h2-8H,9H2,1H3,(H,18,22)/t16-/m1/s1
InChIKeyGAWDUJDEHAGVRP-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

3-[2-(1H-indol-3-yl)-2-oxoethyl]-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione
CID 51288570
(5S)-3-(3,3-dimethyl-2-oxobutyl)-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione
CID 92582836
(5S)-5-(2,5-difluorophenyl)-3-[2-(2-fluorophenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 7561985
(5S)-3-ethyl-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione
CID 92591093
(5S)-3-benzyl-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione
CID 51592541
2-[(4S)-4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl]-N-(2-methylpropyl)acetamide
CID 94510412
(5S)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-(2-fluorophenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 7484126
2-(4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl)-N-pentylacetamide
CID 51288708
N-[4-[2-(4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl)acetyl]phenyl]butanamide
CID 51288680
(5R)-5-methyl-3-(2-methylpropyl)-5-thiophen-2-ylimidazolidine-2,4-dione
CID 92579088
(5S)-5-(2,5-difluorophenyl)-5-methyl-3-(2-oxo-2-thiophen-2-ylethyl)imidazolidine-2,4-dione
CID 7561979
3-[(4-bromo-2-fluorophenyl)methyl]-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione
CID 51288617

Frequently Asked Questions

What is the IUPAC name of (5S)-3-[2-(2-fluorophenyl)-2-oxoethyl]-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione?
The IUPAC name of (5S)-3-[2-(2-fluorophenyl)-2-oxoethyl]-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione (CID 41074060) is (5S)-3-[2-(2-fluorophenyl)-2-oxoethyl]-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-3-[2-(2-fluorophenyl)-2-oxoethyl]-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-3-[2-(2-fluorophenyl)-2-oxoethyl]-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione is C[C@]1(c2cccs2)NC(=O)N(CC(=O)c2ccccc2F)C1=O.
What is the InChIKey of (5S)-3-[2-(2-fluorophenyl)-2-oxoethyl]-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione?
The InChIKey is GAWDUJDEHAGVRP-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H13FN2O3S/c1-16(13-7-4-8-23-13)14(21)19(15(22)18-16)9-12(20)10-5-2-3-6-11(10)17/h2-8H,9H2,1H3,(H,18,22)/t16-/m1/s1.
What are the key properties of (5S)-3-[2-(2-fluorophenyl)-2-oxoethyl]-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione?
(5S)-3-[2-(2-fluorophenyl)-2-oxoethyl]-5-methyl-5-thiophen-2-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 (5S)-3-[2-(2-fluorophenyl)-2-oxoethyl]-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione is sourced from PubChem (CID 41074060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).