(3R)-3-(2-aminophenyl)sulfanyl-1-[(4-fluorophenyl)methyl]pyrrolidine-2,5-dione

C17H15FN2O2S — CID 6925520

IUPAC(3R)-3-(2-aminophenyl)sulfanyl-1-[(4-fluorophenyl)methyl]pyrrolidine-2,5-dione
SMILESNc1ccccc1S[C@@H]1CC(=O)N(Cc2ccc(F)cc2)C1=O
InChIInChI=1S/C17H15FN2O2S/c18-12-7-5-11(6-8-12)10-20-16(21)9-15(17(20)22)23-14-4-2-1-3-13(14)19/h1-8,15H,9-10,19H2/t15-/m1/s1
InChIKeyVGTWWZWQPJGMQW-OAHLLOKOSA-N
MW330.38 g/mol
LogP2.83
Rot. Bonds4

About (3R)-3-(2-aminophenyl)sulfanyl-1-[(4-fluorophenyl)methyl]pyrrolidine-2,5-dione

(3R)-3-(2-aminophenyl)sulfanyl-1-[(4-fluorophenyl)methyl]pyrrolidine-2,5-dione (PubChem CID 6925520) has the molecular formula C17H15FN2O2S and a molecular weight of 330.38 g/mol. Its IUPAC name is (3R)-3-(2-aminophenyl)sulfanyl-1-[(4-fluorophenyl)methyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-3-(2-aminophenyl)sulfanyl-1-[(4-fluorophenyl)methyl]pyrrolidine-2,5-dione
PubChem CID6925520
Molecular FormulaC17H15FN2O2S
Molecular Weight330.38 g/mol
Exact Mass330.08
IUPAC Name(3R)-3-(2-aminophenyl)sulfanyl-1-[(4-fluorophenyl)methyl]pyrrolidine-2,5-dione
SMILESNc1ccccc1S[C@@H]1CC(=O)N(Cc2ccc(F)cc2)C1=O
InChIInChI=1S/C17H15FN2O2S/c18-12-7-5-11(6-8-12)10-20-16(21)9-15(17(20)22)23-14-4-2-1-3-13(14)19/h1-8,15H,9-10,19H2/t15-/m1/s1
InChIKeyVGTWWZWQPJGMQW-OAHLLOKOSA-N
XLogP2.83
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(2-aminophenyl)sulfanyl-1-[(4-fluorophenyl)methyl]pyrrolidine-2,5-dione?
The IUPAC name of (3R)-3-(2-aminophenyl)sulfanyl-1-[(4-fluorophenyl)methyl]pyrrolidine-2,5-dione (CID 6925520) is (3R)-3-(2-aminophenyl)sulfanyl-1-[(4-fluorophenyl)methyl]pyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-3-(2-aminophenyl)sulfanyl-1-[(4-fluorophenyl)methyl]pyrrolidine-2,5-dione?
The canonical SMILES for (3R)-3-(2-aminophenyl)sulfanyl-1-[(4-fluorophenyl)methyl]pyrrolidine-2,5-dione is Nc1ccccc1S[C@@H]1CC(=O)N(Cc2ccc(F)cc2)C1=O.
What is the InChIKey of (3R)-3-(2-aminophenyl)sulfanyl-1-[(4-fluorophenyl)methyl]pyrrolidine-2,5-dione?
The InChIKey is VGTWWZWQPJGMQW-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H15FN2O2S/c18-12-7-5-11(6-8-12)10-20-16(21)9-15(17(20)22)23-14-4-2-1-3-13(14)19/h1-8,15H,9-10,19H2/t15-/m1/s1.
What are the key properties of (3R)-3-(2-aminophenyl)sulfanyl-1-[(4-fluorophenyl)methyl]pyrrolidine-2,5-dione?
(3R)-3-(2-aminophenyl)sulfanyl-1-[(4-fluorophenyl)methyl]pyrrolidine-2,5-dione has a molecular weight of 330.38 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(2-aminophenyl)sulfanyl-1-[(4-fluorophenyl)methyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 6925520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).