N-(3-hydroxy-1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-2-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide

C22H25N3O5S — CID 175480264

About N-(3-hydroxy-1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-2-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide

N-(3-hydroxy-1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-2-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide (PubChem CID 175480264) has the molecular formula C22H25N3O5S and a molecular weight of 443.53 g/mol. Its IUPAC name is N-(3-hydroxy-1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-2-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide.

Molecular Properties

• Compound Name: N-(3-hydroxy-1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-2-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide
• PubChem CID: 175480264
• Molecular Formula: C22H25N3O5S
• Molecular Weight: 443.53 g/mol
• Exact Mass: 443.15
• IUPAC Name: N-(3-hydroxy-1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-2-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide
• SMILES: Cc1ncc(COc2ccc3oc(C)c(C(=O)NC(CO)C(=O)N4CCCC4)c3c2)s1
• InChI: InChI=1S/C22H25N3O5S/c1-13-20(21(27)24-18(11-26)22(28)25-7-3-4-8-25)17-9-15(5-6-19(17)30-13)29-12-16-10-23-14(2)31-16/h5-6,9-10,18,26H,3-4,7-8,11-12H2,1-2H3,(H,24,27)
• InChIKey: CZDKMYBJSFBQBO-UHFFFAOYSA-N
• XLogP: 2.80
• TPSA: 104.90 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.53
LogP ≤ 5	2.80
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-2-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide?

The IUPAC name of N-(3-hydroxy-1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-2-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide (CID 175480264) is N-(3-hydroxy-1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-2-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide.

What is the SMILES notation for N-(3-hydroxy-1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-2-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide?

The canonical SMILES for N-(3-hydroxy-1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-2-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide is Cc1ncc(COc2ccc3oc(C)c(C(=O)NC(CO)C(=O)N4CCCC4)c3c2)s1.

What is the InChIKey of N-(3-hydroxy-1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-2-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide?

The InChIKey is CZDKMYBJSFBQBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O5S/c1-13-20(21(27)24-18(11-26)22(28)25-7-3-4-8-25)17-9-15(5-6-19(17)30-13)29-12-16-10-23-14(2)31-16/h5-6,9-10,18,26H,3-4,7-8,11-12H2,1-2H3,(H,24,27).

What are the key properties of N-(3-hydroxy-1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-2-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide?

N-(3-hydroxy-1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-2-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide has a molecular weight of 443.53 g/mol, XLogP of 2.80, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-hydroxy-1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-2-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide is sourced from PubChem (CID 175480264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).