N-(2,6-diethylphenyl)-2-[(3R)-1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylacetamide

C22H23FN2O3S — CID 1243844

IUPACN-(2,6-diethylphenyl)-2-[(3R)-1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylacetamide
SMILESCCc1cccc(CC)c1NC(=O)CS[C@@H]1CC(=O)N(c2ccc(F)cc2)C1=O
InChIInChI=1S/C22H23FN2O3S/c1-3-14-6-5-7-15(4-2)21(14)24-19(26)13-29-18-12-20(27)25(22(18)28)17-10-8-16(23)9-11-17/h5-11,18H,3-4,12-13H2,1-2H3,(H,24,26)/t18-/m1/s1
InChIKeyKJRFWNWBCQVXBV-GOSISDBHSA-N
MW414.50 g/mol
LogP3.95
Rot. Bonds7

About N-(2,6-diethylphenyl)-2-[(3R)-1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylacetamide

N-(2,6-diethylphenyl)-2-[(3R)-1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylacetamide (PubChem CID 1243844) has the molecular formula C22H23FN2O3S and a molecular weight of 414.50 g/mol. Its IUPAC name is N-(2,6-diethylphenyl)-2-[(3R)-1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(2,6-diethylphenyl)-2-[(3R)-1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylacetamide
PubChem CID1243844
Molecular FormulaC22H23FN2O3S
Molecular Weight414.50 g/mol
Exact Mass414.14
IUPAC NameN-(2,6-diethylphenyl)-2-[(3R)-1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylacetamide
SMILESCCc1cccc(CC)c1NC(=O)CS[C@@H]1CC(=O)N(c2ccc(F)cc2)C1=O
InChIInChI=1S/C22H23FN2O3S/c1-3-14-6-5-7-15(4-2)21(14)24-19(26)13-29-18-12-20(27)25(22(18)28)17-10-8-16(23)9-11-17/h5-11,18H,3-4,12-13H2,1-2H3,(H,24,26)/t18-/m1/s1
InChIKeyKJRFWNWBCQVXBV-GOSISDBHSA-N
XLogP3.95
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.50
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-ethyl-6-methylphenyl)-2-[(3R)-1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylacetamide
CID 1243902
2-[(3S)-1-(3,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl-N-(2-ethyl-6-methylphenyl)acetamide
CID 2234440
2-(2,5-dioxo-1-phenylpyrrolidin-3-yl)sulfanyl-N-(4-fluorophenyl)acetamide
CID 3106521
2-[(3S)-1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl-N-(4-methoxyphenyl)acetamide
CID 1299581
ethyl 4-[(3R)-3-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]benzoate
CID 6975639
(3R)-3-ethylsulfanyl-1-(4-fluorophenyl)pyrrolidine-2,5-dione
CID 92639985
N-(4-methylphenyl)-2-[(3R)-1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylacetamide
CID 2146860
2-[(3S)-1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl-N-(3-fluorophenyl)acetamide
CID 1041144
2-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]sulfanyl-N-phenylacetamide
CID 709521
methyl 4-[(3S)-3-[2-(3-fluoroanilino)-2-oxoethyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]benzoate
CID 1109149
2-[(3R)-2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]sulfanyl-N-(3-fluorophenyl)acetamide
CID 7034600
N-(2-methoxyphenyl)-2-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylacetamide
CID 66489073

Frequently Asked Questions

What is the IUPAC name of N-(2,6-diethylphenyl)-2-[(3R)-1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylacetamide?
The IUPAC name of N-(2,6-diethylphenyl)-2-[(3R)-1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylacetamide (CID 1243844) is N-(2,6-diethylphenyl)-2-[(3R)-1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylacetamide.
What is the SMILES notation for N-(2,6-diethylphenyl)-2-[(3R)-1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylacetamide?
The canonical SMILES for N-(2,6-diethylphenyl)-2-[(3R)-1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylacetamide is CCc1cccc(CC)c1NC(=O)CS[C@@H]1CC(=O)N(c2ccc(F)cc2)C1=O.
What is the InChIKey of N-(2,6-diethylphenyl)-2-[(3R)-1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylacetamide?
The InChIKey is KJRFWNWBCQVXBV-GOSISDBHSA-N. The full InChI is InChI=1S/C22H23FN2O3S/c1-3-14-6-5-7-15(4-2)21(14)24-19(26)13-29-18-12-20(27)25(22(18)28)17-10-8-16(23)9-11-17/h5-11,18H,3-4,12-13H2,1-2H3,(H,24,26)/t18-/m1/s1.
What are the key properties of N-(2,6-diethylphenyl)-2-[(3R)-1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylacetamide?
N-(2,6-diethylphenyl)-2-[(3R)-1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylacetamide has a molecular weight of 414.50 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-diethylphenyl)-2-[(3R)-1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylacetamide is sourced from PubChem (CID 1243844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).