5-[(S)-hydroxy-[(2R,3R)-1-methyl-5-oxo-3-phenylpyrrolidin-2-yl]methyl]-N-phenylthiophene-2-carboxamide

C23H22N2O3S — CID 86587928

IUPAC5-[(S)-hydroxy-[(2R,3R)-1-methyl-5-oxo-3-phenylpyrrolidin-2-yl]methyl]-N-phenylthiophene-2-carboxamide
SMILESCN1C(=O)C[C@H](c2ccccc2)[C@@H]1[C@H](O)c1ccc(C(=O)Nc2ccccc2)s1
InChIInChI=1S/C23H22N2O3S/c1-25-20(26)14-17(15-8-4-2-5-9-15)21(25)22(27)18-12-13-19(29-18)23(28)24-16-10-6-3-7-11-16/h2-13,17,21-22,27H,14H2,1H3,(H,24,28)/t17-,21-,22-/m1/s1
InChIKeyIVOLRZMZMUAHGB-ZPMCFJSWSA-N
MW406.51 g/mol
LogP4.05
Rot. Bonds5

About 5-[(S)-hydroxy-[(2R,3R)-1-methyl-5-oxo-3-phenylpyrrolidin-2-yl]methyl]-N-phenylthiophene-2-carboxamide

5-[(S)-hydroxy-[(2R,3R)-1-methyl-5-oxo-3-phenylpyrrolidin-2-yl]methyl]-N-phenylthiophene-2-carboxamide (PubChem CID 86587928) has the molecular formula C23H22N2O3S and a molecular weight of 406.51 g/mol. Its IUPAC name is 5-[(S)-hydroxy-[(2R,3R)-1-methyl-5-oxo-3-phenylpyrrolidin-2-yl]methyl]-N-phenylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-[(S)-hydroxy-[(2R,3R)-1-methyl-5-oxo-3-phenylpyrrolidin-2-yl]methyl]-N-phenylthiophene-2-carboxamide
PubChem CID86587928
Molecular FormulaC23H22N2O3S
Molecular Weight406.51 g/mol
Exact Mass406.14
IUPAC Name5-[(S)-hydroxy-[(2R,3R)-1-methyl-5-oxo-3-phenylpyrrolidin-2-yl]methyl]-N-phenylthiophene-2-carboxamide
SMILESCN1C(=O)C[C@H](c2ccccc2)[C@@H]1[C@H](O)c1ccc(C(=O)Nc2ccccc2)s1
InChIInChI=1S/C23H22N2O3S/c1-25-20(26)14-17(15-8-4-2-5-9-15)21(25)22(27)18-12-13-19(29-18)23(28)24-16-10-6-3-7-11-16/h2-13,17,21-22,27H,14H2,1H3,(H,24,28)/t17-,21-,22-/m1/s1
InChIKeyIVOLRZMZMUAHGB-ZPMCFJSWSA-N
XLogP4.05
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(S)-hydroxy-[(2R,3R)-1-methyl-5-oxo-3-phenylpyrrolidin-2-yl]methyl]-N-phenylthiophene-2-carboxamide?
The IUPAC name of 5-[(S)-hydroxy-[(2R,3R)-1-methyl-5-oxo-3-phenylpyrrolidin-2-yl]methyl]-N-phenylthiophene-2-carboxamide (CID 86587928) is 5-[(S)-hydroxy-[(2R,3R)-1-methyl-5-oxo-3-phenylpyrrolidin-2-yl]methyl]-N-phenylthiophene-2-carboxamide.
What is the SMILES notation for 5-[(S)-hydroxy-[(2R,3R)-1-methyl-5-oxo-3-phenylpyrrolidin-2-yl]methyl]-N-phenylthiophene-2-carboxamide?
The canonical SMILES for 5-[(S)-hydroxy-[(2R,3R)-1-methyl-5-oxo-3-phenylpyrrolidin-2-yl]methyl]-N-phenylthiophene-2-carboxamide is CN1C(=O)C[C@H](c2ccccc2)[C@@H]1[C@H](O)c1ccc(C(=O)Nc2ccccc2)s1.
What is the InChIKey of 5-[(S)-hydroxy-[(2R,3R)-1-methyl-5-oxo-3-phenylpyrrolidin-2-yl]methyl]-N-phenylthiophene-2-carboxamide?
The InChIKey is IVOLRZMZMUAHGB-ZPMCFJSWSA-N. The full InChI is InChI=1S/C23H22N2O3S/c1-25-20(26)14-17(15-8-4-2-5-9-15)21(25)22(27)18-12-13-19(29-18)23(28)24-16-10-6-3-7-11-16/h2-13,17,21-22,27H,14H2,1H3,(H,24,28)/t17-,21-,22-/m1/s1.
What are the key properties of 5-[(S)-hydroxy-[(2R,3R)-1-methyl-5-oxo-3-phenylpyrrolidin-2-yl]methyl]-N-phenylthiophene-2-carboxamide?
5-[(S)-hydroxy-[(2R,3R)-1-methyl-5-oxo-3-phenylpyrrolidin-2-yl]methyl]-N-phenylthiophene-2-carboxamide has a molecular weight of 406.51 g/mol, XLogP of 4.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(S)-hydroxy-[(2R,3R)-1-methyl-5-oxo-3-phenylpyrrolidin-2-yl]methyl]-N-phenylthiophene-2-carboxamide is sourced from PubChem (CID 86587928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).