5-[(2-cyanophenoxy)methyl]-N-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]furan-2-carboxamide

C24H21N3O4 — CID 97254540

About 5-[(2-cyanophenoxy)methyl]-N-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]furan-2-carboxamide

5-[(2-cyanophenoxy)methyl]-N-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]furan-2-carboxamide (PubChem CID 97254540) has the molecular formula C24H21N3O4 and a molecular weight of 415.45 g/mol. Its IUPAC name is 5-[(2-cyanophenoxy)methyl]-N-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]furan-2-carboxamide.

Molecular Properties

• Compound Name: 5-[(2-cyanophenoxy)methyl]-N-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]furan-2-carboxamide
• PubChem CID: 97254540
• Molecular Formula: C24H21N3O4
• Molecular Weight: 415.45 g/mol
• Exact Mass: 415.15
• IUPAC Name: 5-[(2-cyanophenoxy)methyl]-N-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]furan-2-carboxamide
• SMILES: N#Cc1ccccc1OCc1ccc(C(=O)N[C@H](CO)Cc2c[nH]c3ccccc23)o1
• InChI: InChI=1S/C24H21N3O4/c25-12-16-5-1-4-8-22(16)30-15-19-9-10-23(31-19)24(29)27-18(14-28)11-17-13-26-21-7-3-2-6-20(17)21/h1-10,13,18,26,28H,11,14-15H2,(H,27,29)/t18-/m0/s1
• InChIKey: HTOJCRCTQWZRAI-SFHVURJKSA-N
• XLogP: 3.54
• TPSA: 111.28 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	415.45
LogP ≤ 5	3.54
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-[(2-cyanophenoxy)methyl]-N-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]furan-2-carboxamide?

The IUPAC name of 5-[(2-cyanophenoxy)methyl]-N-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]furan-2-carboxamide (CID 97254540) is 5-[(2-cyanophenoxy)methyl]-N-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]furan-2-carboxamide.

What is the SMILES notation for 5-[(2-cyanophenoxy)methyl]-N-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]furan-2-carboxamide?

The canonical SMILES for 5-[(2-cyanophenoxy)methyl]-N-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]furan-2-carboxamide is N#Cc1ccccc1OCc1ccc(C(=O)N[C@H](CO)Cc2c[nH]c3ccccc23)o1.

What is the InChIKey of 5-[(2-cyanophenoxy)methyl]-N-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]furan-2-carboxamide?

The InChIKey is HTOJCRCTQWZRAI-SFHVURJKSA-N. The full InChI is InChI=1S/C24H21N3O4/c25-12-16-5-1-4-8-22(16)30-15-19-9-10-23(31-19)24(29)27-18(14-28)11-17-13-26-21-7-3-2-6-20(17)21/h1-10,13,18,26,28H,11,14-15H2,(H,27,29)/t18-/m0/s1.

What are the key properties of 5-[(2-cyanophenoxy)methyl]-N-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]furan-2-carboxamide?

5-[(2-cyanophenoxy)methyl]-N-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]furan-2-carboxamide has a molecular weight of 415.45 g/mol, XLogP of 3.54, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(2-cyanophenoxy)methyl]-N-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]furan-2-carboxamide is sourced from PubChem (CID 97254540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).