N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide

C24H23N3O4S — CID 55434229

About N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide

N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide (PubChem CID 55434229) has the molecular formula C24H23N3O4S and a molecular weight of 449.53 g/mol. Its IUPAC name is N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide.

Molecular Properties

• Compound Name: N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide
• PubChem CID: 55434229
• Molecular Formula: C24H23N3O4S
• Molecular Weight: 449.53 g/mol
• Exact Mass: 449.14
• IUPAC Name: N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide
• SMILES: COCc1c(C(=O)Nc2nc(-c3ccc(C(C)NC(C)=O)cc3)cs2)oc2ccccc12
• InChI: InChI=1S/C24H23N3O4S/c1-14(25-15(2)28)16-8-10-17(11-9-16)20-13-32-24(26-20)27-23(29)22-19(12-30-3)18-6-4-5-7-21(18)31-22/h4-11,13-14H,12H2,1-3H3,(H,25,28)(H,26,27,29)
• InChIKey: YFRXJVNZKVMEDK-UHFFFAOYSA-N
• XLogP: 5.15
• TPSA: 93.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	449.53
LogP ≤ 5	5.15
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide?

The IUPAC name of N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide (CID 55434229) is N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide.

What is the SMILES notation for N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide?

The canonical SMILES for N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide is COCc1c(C(=O)Nc2nc(-c3ccc(C(C)NC(C)=O)cc3)cs2)oc2ccccc12.

What is the InChIKey of N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide?

The InChIKey is YFRXJVNZKVMEDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O4S/c1-14(25-15(2)28)16-8-10-17(11-9-16)20-13-32-24(26-20)27-23(29)22-19(12-30-3)18-6-4-5-7-21(18)31-22/h4-11,13-14H,12H2,1-3H3,(H,25,28)(H,26,27,29).

What are the key properties of N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide?

N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide has a molecular weight of 449.53 g/mol, XLogP of 5.15, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 55434229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).