4-cyclobutyl-N-(2-hydroxyethyl)-2-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide

C21H24N2O4S — CID 175480467

About 4-cyclobutyl-N-(2-hydroxyethyl)-2-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide

4-cyclobutyl-N-(2-hydroxyethyl)-2-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide (PubChem CID 175480467) has the molecular formula C21H24N2O4S and a molecular weight of 400.50 g/mol. Its IUPAC name is 4-cyclobutyl-N-(2-hydroxyethyl)-2-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide.

Molecular Properties

• Compound Name: 4-cyclobutyl-N-(2-hydroxyethyl)-2-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide
• PubChem CID: 175480467
• Molecular Formula: C21H24N2O4S
• Molecular Weight: 400.50 g/mol
• Exact Mass: 400.15
• IUPAC Name: 4-cyclobutyl-N-(2-hydroxyethyl)-2-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide
• SMILES: Cc1ncsc1COc1ccc2oc(C)c(C(=O)NCCO)c2c1C1CCC1
• InChI: InChI=1S/C21H24N2O4S/c1-12-17(28-11-23-12)10-26-15-6-7-16-20(19(15)14-4-3-5-14)18(13(2)27-16)21(25)22-8-9-24/h6-7,11,14,24H,3-5,8-10H2,1-2H3,(H,22,25)
• InChIKey: BCBZTEJCQPWDJB-UHFFFAOYSA-N
• XLogP: 4.07
• TPSA: 84.59 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	400.50
LogP ≤ 5	4.07
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-cyclobutyl-N-(2-hydroxyethyl)-2-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide?

The IUPAC name of 4-cyclobutyl-N-(2-hydroxyethyl)-2-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide (CID 175480467) is 4-cyclobutyl-N-(2-hydroxyethyl)-2-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide.

What is the SMILES notation for 4-cyclobutyl-N-(2-hydroxyethyl)-2-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide?

The canonical SMILES for 4-cyclobutyl-N-(2-hydroxyethyl)-2-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide is Cc1ncsc1COc1ccc2oc(C)c(C(=O)NCCO)c2c1C1CCC1.

What is the InChIKey of 4-cyclobutyl-N-(2-hydroxyethyl)-2-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide?

The InChIKey is BCBZTEJCQPWDJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4S/c1-12-17(28-11-23-12)10-26-15-6-7-16-20(19(15)14-4-3-5-14)18(13(2)27-16)21(25)22-8-9-24/h6-7,11,14,24H,3-5,8-10H2,1-2H3,(H,22,25).

What are the key properties of 4-cyclobutyl-N-(2-hydroxyethyl)-2-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide?

4-cyclobutyl-N-(2-hydroxyethyl)-2-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide has a molecular weight of 400.50 g/mol, XLogP of 4.07, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-cyclobutyl-N-(2-hydroxyethyl)-2-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide is sourced from PubChem (CID 175480467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).