(4R,5R)-5-[(S)-hydroxy-(5-methyl-3-phenylthiophen-2-yl)methyl]-1-methyl-4-phenylpyrrolidin-2-one

C23H23NO2S — CID 10199614

IUPAC(4R,5R)-5-[(S)-hydroxy-(5-methyl-3-phenylthiophen-2-yl)methyl]-1-methyl-4-phenylpyrrolidin-2-one
SMILESCc1cc(-c2ccccc2)c([C@@H](O)[C@H]2[C@@H](c3ccccc3)CC(=O)N2C)s1
InChIInChI=1S/C23H23NO2S/c1-15-13-19(17-11-7-4-8-12-17)23(27-15)22(26)21-18(14-20(25)24(21)2)16-9-5-3-6-10-16/h3-13,18,21-22,26H,14H2,1-2H3/t18-,21-,22+/m1/s1
InChIKeyFUQRJCDBMGJLIG-QIJUGHKUSA-N
MW377.51 g/mol
LogP4.77
Rot. Bonds4

About (4R,5R)-5-[(S)-hydroxy-(5-methyl-3-phenylthiophen-2-yl)methyl]-1-methyl-4-phenylpyrrolidin-2-one

(4R,5R)-5-[(S)-hydroxy-(5-methyl-3-phenylthiophen-2-yl)methyl]-1-methyl-4-phenylpyrrolidin-2-one (PubChem CID 10199614) has the molecular formula C23H23NO2S and a molecular weight of 377.51 g/mol. Its IUPAC name is (4R,5R)-5-[(S)-hydroxy-(5-methyl-3-phenylthiophen-2-yl)methyl]-1-methyl-4-phenylpyrrolidin-2-one.

Molecular Properties

Compound Name(4R,5R)-5-[(S)-hydroxy-(5-methyl-3-phenylthiophen-2-yl)methyl]-1-methyl-4-phenylpyrrolidin-2-one
PubChem CID10199614
Molecular FormulaC23H23NO2S
Molecular Weight377.51 g/mol
Exact Mass377.14
IUPAC Name(4R,5R)-5-[(S)-hydroxy-(5-methyl-3-phenylthiophen-2-yl)methyl]-1-methyl-4-phenylpyrrolidin-2-one
SMILESCc1cc(-c2ccccc2)c([C@@H](O)[C@H]2[C@@H](c3ccccc3)CC(=O)N2C)s1
InChIInChI=1S/C23H23NO2S/c1-15-13-19(17-11-7-4-8-12-17)23(27-15)22(26)21-18(14-20(25)24(21)2)16-9-5-3-6-10-16/h3-13,18,21-22,26H,14H2,1-2H3/t18-,21-,22+/m1/s1
InChIKeyFUQRJCDBMGJLIG-QIJUGHKUSA-N
XLogP4.77
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.51
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4R,5R)-5-[(S)-hydroxy-(5-methyl-3-phenylthiophen-2-yl)methyl]-1-methyl-4-phenylpyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-5-[(S)-hydroxy-(5-methyl-3-phenylthiophen-2-yl)methyl]-1-methyl-4-phenylpyrrolidin-2-one?
The IUPAC name of (4R,5R)-5-[(S)-hydroxy-(5-methyl-3-phenylthiophen-2-yl)methyl]-1-methyl-4-phenylpyrrolidin-2-one (CID 10199614) is (4R,5R)-5-[(S)-hydroxy-(5-methyl-3-phenylthiophen-2-yl)methyl]-1-methyl-4-phenylpyrrolidin-2-one.
What is the SMILES notation for (4R,5R)-5-[(S)-hydroxy-(5-methyl-3-phenylthiophen-2-yl)methyl]-1-methyl-4-phenylpyrrolidin-2-one?
The canonical SMILES for (4R,5R)-5-[(S)-hydroxy-(5-methyl-3-phenylthiophen-2-yl)methyl]-1-methyl-4-phenylpyrrolidin-2-one is Cc1cc(-c2ccccc2)c([C@@H](O)[C@H]2[C@@H](c3ccccc3)CC(=O)N2C)s1.
What is the InChIKey of (4R,5R)-5-[(S)-hydroxy-(5-methyl-3-phenylthiophen-2-yl)methyl]-1-methyl-4-phenylpyrrolidin-2-one?
The InChIKey is FUQRJCDBMGJLIG-QIJUGHKUSA-N. The full InChI is InChI=1S/C23H23NO2S/c1-15-13-19(17-11-7-4-8-12-17)23(27-15)22(26)21-18(14-20(25)24(21)2)16-9-5-3-6-10-16/h3-13,18,21-22,26H,14H2,1-2H3/t18-,21-,22+/m1/s1.
What are the key properties of (4R,5R)-5-[(S)-hydroxy-(5-methyl-3-phenylthiophen-2-yl)methyl]-1-methyl-4-phenylpyrrolidin-2-one?
(4R,5R)-5-[(S)-hydroxy-(5-methyl-3-phenylthiophen-2-yl)methyl]-1-methyl-4-phenylpyrrolidin-2-one has a molecular weight of 377.51 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-5-[(S)-hydroxy-(5-methyl-3-phenylthiophen-2-yl)methyl]-1-methyl-4-phenylpyrrolidin-2-one is sourced from PubChem (CID 10199614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).