N-(2-fluorophenyl)-3-[(3R)-1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylpropanamide

C20H19FN2O3S — CID 2235715

IUPACN-(2-fluorophenyl)-3-[(3R)-1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylpropanamide
SMILESCc1ccc(N2C(=O)C[C@@H](SCCC(=O)Nc3ccccc3F)C2=O)cc1
InChIInChI=1S/C20H19FN2O3S/c1-13-6-8-14(9-7-13)23-19(25)12-17(20(23)26)27-11-10-18(24)22-16-5-3-2-4-15(16)21/h2-9,17H,10-12H2,1H3,(H,22,24)/t17-/m1/s1
InChIKeyLNNPBUGXMHSVAC-QGZVFWFLSA-N
MW386.45 g/mol
LogP3.53
Rot. Bonds6

About N-(2-fluorophenyl)-3-[(3R)-1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylpropanamide

N-(2-fluorophenyl)-3-[(3R)-1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylpropanamide (PubChem CID 2235715) has the molecular formula C20H19FN2O3S and a molecular weight of 386.45 g/mol. Its IUPAC name is N-(2-fluorophenyl)-3-[(3R)-1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylpropanamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-3-[(3R)-1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylpropanamide
PubChem CID2235715
Molecular FormulaC20H19FN2O3S
Molecular Weight386.45 g/mol
Exact Mass386.11
IUPAC NameN-(2-fluorophenyl)-3-[(3R)-1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylpropanamide
SMILESCc1ccc(N2C(=O)C[C@@H](SCCC(=O)Nc3ccccc3F)C2=O)cc1
InChIInChI=1S/C20H19FN2O3S/c1-13-6-8-14(9-7-13)23-19(25)12-17(20(23)26)27-11-10-18(24)22-16-5-3-2-4-15(16)21/h2-9,17H,10-12H2,1H3,(H,22,24)/t17-/m1/s1
InChIKeyLNNPBUGXMHSVAC-QGZVFWFLSA-N
XLogP3.53
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 53.53
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

3-[(3S)-2,5-dioxo-1-phenylpyrrolidin-3-yl]sulfanyl-N-(4-methylphenyl)propanamide
CID 7366811
3-[(3S)-1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl-N-(4-phenoxyphenyl)propanamide
CID 51562434
methyl 3-[(3S)-1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylpropanoate
CID 2437160
methyl 3-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylpropanoate
CID 3453894
N-(3-methoxyphenyl)-3-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylpropanamide
CID 2982376
N-(3-methoxyphenyl)-3-[(3S)-1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylpropanamide
CID 7371917
3-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl-N-(2-ethylphenyl)propanamide
CID 6456853
N-(4-methylphenyl)-2-[(3R)-1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylacetamide
CID 2146860
3-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]sulfanyl-N-(4-iodophenyl)propanamide
CID 27136917
2-[(3R)-1-(3,4-difluorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl-N-(4-methylphenyl)acetamide
CID 92693938
3-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]sulfanylpropanoate
CID 6925384
(3S)-3-benzylsulfanyl-1-(4-methylphenyl)pyrrolidine-2,5-dione
CID 875245

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-3-[(3R)-1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylpropanamide?
The IUPAC name of N-(2-fluorophenyl)-3-[(3R)-1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylpropanamide (CID 2235715) is N-(2-fluorophenyl)-3-[(3R)-1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylpropanamide.
What is the SMILES notation for N-(2-fluorophenyl)-3-[(3R)-1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylpropanamide?
The canonical SMILES for N-(2-fluorophenyl)-3-[(3R)-1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylpropanamide is Cc1ccc(N2C(=O)C[C@@H](SCCC(=O)Nc3ccccc3F)C2=O)cc1.
What is the InChIKey of N-(2-fluorophenyl)-3-[(3R)-1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylpropanamide?
The InChIKey is LNNPBUGXMHSVAC-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H19FN2O3S/c1-13-6-8-14(9-7-13)23-19(25)12-17(20(23)26)27-11-10-18(24)22-16-5-3-2-4-15(16)21/h2-9,17H,10-12H2,1H3,(H,22,24)/t17-/m1/s1.
What are the key properties of N-(2-fluorophenyl)-3-[(3R)-1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylpropanamide?
N-(2-fluorophenyl)-3-[(3R)-1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylpropanamide has a molecular weight of 386.45 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-3-[(3R)-1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylpropanamide is sourced from PubChem (CID 2235715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).