(2S)-5-oxo-1-[(1R)-3-oxo-1H-2-benzofuran-1-yl]-N-[(2S)-4-phenylbutan-2-yl]pyrrolidine-2-carboxamide

C23H24N2O4 — CID 7083890

IUPAC(2S)-5-oxo-1-[(1R)-3-oxo-1H-2-benzofuran-1-yl]-N-[(2S)-4-phenylbutan-2-yl]pyrrolidine-2-carboxamide
SMILESC[C@@H](CCc1ccccc1)NC(=O)[C@@H]1CCC(=O)N1[C@@H]1OC(=O)c2ccccc21
InChIInChI=1S/C23H24N2O4/c1-15(11-12-16-7-3-2-4-8-16)24-21(27)19-13-14-20(26)25(19)22-17-9-5-6-10-18(17)23(28)29-22/h2-10,15,19,22H,11-14H2,1H3,(H,24,27)/t15-,19-,22+/m0/s1
InChIKeyYWZIKHGMOUDZQZ-WQFQCULDSA-N
MW392.46 g/mol
LogP2.98
Rot. Bonds6

About (2S)-5-oxo-1-[(1R)-3-oxo-1H-2-benzofuran-1-yl]-N-[(2S)-4-phenylbutan-2-yl]pyrrolidine-2-carboxamide

(2S)-5-oxo-1-[(1R)-3-oxo-1H-2-benzofuran-1-yl]-N-[(2S)-4-phenylbutan-2-yl]pyrrolidine-2-carboxamide (PubChem CID 7083890) has the molecular formula C23H24N2O4 and a molecular weight of 392.46 g/mol. Its IUPAC name is (2S)-5-oxo-1-[(1R)-3-oxo-1H-2-benzofuran-1-yl]-N-[(2S)-4-phenylbutan-2-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-5-oxo-1-[(1R)-3-oxo-1H-2-benzofuran-1-yl]-N-[(2S)-4-phenylbutan-2-yl]pyrrolidine-2-carboxamide
PubChem CID7083890
Molecular FormulaC23H24N2O4
Molecular Weight392.46 g/mol
Exact Mass392.17
IUPAC Name(2S)-5-oxo-1-[(1R)-3-oxo-1H-2-benzofuran-1-yl]-N-[(2S)-4-phenylbutan-2-yl]pyrrolidine-2-carboxamide
SMILESC[C@@H](CCc1ccccc1)NC(=O)[C@@H]1CCC(=O)N1[C@@H]1OC(=O)c2ccccc21
InChIInChI=1S/C23H24N2O4/c1-15(11-12-16-7-3-2-4-8-16)24-21(27)19-13-14-20(26)25(19)22-17-9-5-6-10-18(17)23(28)29-22/h2-10,15,19,22H,11-14H2,1H3,(H,24,27)/t15-,19-,22+/m0/s1
InChIKeyYWZIKHGMOUDZQZ-WQFQCULDSA-N
XLogP2.98
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-5-oxo-1-[(1R)-3-oxo-1H-2-benzofuran-1-yl]-N-[(2S)-4-phenylbutan-2-yl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-5-oxo-1-[(1R)-3-oxo-1H-2-benzofuran-1-yl]-N-[(2S)-4-phenylbutan-2-yl]pyrrolidine-2-carboxamide (CID 7083890) is (2S)-5-oxo-1-[(1R)-3-oxo-1H-2-benzofuran-1-yl]-N-[(2S)-4-phenylbutan-2-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-5-oxo-1-[(1R)-3-oxo-1H-2-benzofuran-1-yl]-N-[(2S)-4-phenylbutan-2-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-5-oxo-1-[(1R)-3-oxo-1H-2-benzofuran-1-yl]-N-[(2S)-4-phenylbutan-2-yl]pyrrolidine-2-carboxamide is C[C@@H](CCc1ccccc1)NC(=O)[C@@H]1CCC(=O)N1[C@@H]1OC(=O)c2ccccc21.
What is the InChIKey of (2S)-5-oxo-1-[(1R)-3-oxo-1H-2-benzofuran-1-yl]-N-[(2S)-4-phenylbutan-2-yl]pyrrolidine-2-carboxamide?
The InChIKey is YWZIKHGMOUDZQZ-WQFQCULDSA-N. The full InChI is InChI=1S/C23H24N2O4/c1-15(11-12-16-7-3-2-4-8-16)24-21(27)19-13-14-20(26)25(19)22-17-9-5-6-10-18(17)23(28)29-22/h2-10,15,19,22H,11-14H2,1H3,(H,24,27)/t15-,19-,22+/m0/s1.
What are the key properties of (2S)-5-oxo-1-[(1R)-3-oxo-1H-2-benzofuran-1-yl]-N-[(2S)-4-phenylbutan-2-yl]pyrrolidine-2-carboxamide?
(2S)-5-oxo-1-[(1R)-3-oxo-1H-2-benzofuran-1-yl]-N-[(2S)-4-phenylbutan-2-yl]pyrrolidine-2-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-oxo-1-[(1R)-3-oxo-1H-2-benzofuran-1-yl]-N-[(2S)-4-phenylbutan-2-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 7083890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).