(3R)-1-(2-fluorophenyl)-3-[methyl-[(3-methylthiophen-2-yl)methyl]amino]pyrrolidine-2,5-dione

C17H17FN2O2S — CID 95934847

IUPAC(3R)-1-(2-fluorophenyl)-3-[methyl-[(3-methylthiophen-2-yl)methyl]amino]pyrrolidine-2,5-dione
SMILESCc1ccsc1CN(C)[C@@H]1CC(=O)N(c2ccccc2F)C1=O
InChIInChI=1S/C17H17FN2O2S/c1-11-7-8-23-15(11)10-19(2)14-9-16(21)20(17(14)22)13-6-4-3-5-12(13)18/h3-8,14H,9-10H2,1-2H3/t14-/m1/s1
InChIKeyMYKUXNYJIAIDHQ-CQSZACIVSA-N
MW332.40 g/mol
LogP2.96
Rot. Bonds4

About (3R)-1-(2-fluorophenyl)-3-[methyl-[(3-methylthiophen-2-yl)methyl]amino]pyrrolidine-2,5-dione

(3R)-1-(2-fluorophenyl)-3-[methyl-[(3-methylthiophen-2-yl)methyl]amino]pyrrolidine-2,5-dione (PubChem CID 95934847) has the molecular formula C17H17FN2O2S and a molecular weight of 332.40 g/mol. Its IUPAC name is (3R)-1-(2-fluorophenyl)-3-[methyl-[(3-methylthiophen-2-yl)methyl]amino]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-1-(2-fluorophenyl)-3-[methyl-[(3-methylthiophen-2-yl)methyl]amino]pyrrolidine-2,5-dione
PubChem CID95934847
Molecular FormulaC17H17FN2O2S
Molecular Weight332.40 g/mol
Exact Mass332.10
IUPAC Name(3R)-1-(2-fluorophenyl)-3-[methyl-[(3-methylthiophen-2-yl)methyl]amino]pyrrolidine-2,5-dione
SMILESCc1ccsc1CN(C)[C@@H]1CC(=O)N(c2ccccc2F)C1=O
InChIInChI=1S/C17H17FN2O2S/c1-11-7-8-23-15(11)10-19(2)14-9-16(21)20(17(14)22)13-6-4-3-5-12(13)18/h3-8,14H,9-10H2,1-2H3/t14-/m1/s1
InChIKeyMYKUXNYJIAIDHQ-CQSZACIVSA-N
XLogP2.96
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2-fluorophenyl)-3-[methyl-[(3-methylthiophen-2-yl)methyl]amino]pyrrolidine-2,5-dione?
The IUPAC name of (3R)-1-(2-fluorophenyl)-3-[methyl-[(3-methylthiophen-2-yl)methyl]amino]pyrrolidine-2,5-dione (CID 95934847) is (3R)-1-(2-fluorophenyl)-3-[methyl-[(3-methylthiophen-2-yl)methyl]amino]pyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-1-(2-fluorophenyl)-3-[methyl-[(3-methylthiophen-2-yl)methyl]amino]pyrrolidine-2,5-dione?
The canonical SMILES for (3R)-1-(2-fluorophenyl)-3-[methyl-[(3-methylthiophen-2-yl)methyl]amino]pyrrolidine-2,5-dione is Cc1ccsc1CN(C)[C@@H]1CC(=O)N(c2ccccc2F)C1=O.
What is the InChIKey of (3R)-1-(2-fluorophenyl)-3-[methyl-[(3-methylthiophen-2-yl)methyl]amino]pyrrolidine-2,5-dione?
The InChIKey is MYKUXNYJIAIDHQ-CQSZACIVSA-N. The full InChI is InChI=1S/C17H17FN2O2S/c1-11-7-8-23-15(11)10-19(2)14-9-16(21)20(17(14)22)13-6-4-3-5-12(13)18/h3-8,14H,9-10H2,1-2H3/t14-/m1/s1.
What are the key properties of (3R)-1-(2-fluorophenyl)-3-[methyl-[(3-methylthiophen-2-yl)methyl]amino]pyrrolidine-2,5-dione?
(3R)-1-(2-fluorophenyl)-3-[methyl-[(3-methylthiophen-2-yl)methyl]amino]pyrrolidine-2,5-dione has a molecular weight of 332.40 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2-fluorophenyl)-3-[methyl-[(3-methylthiophen-2-yl)methyl]amino]pyrrolidine-2,5-dione is sourced from PubChem (CID 95934847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).