N-[6-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-1,3-dihydro-2-benzofuran-4-yl]-2-(4-propan-2-ylpiperazin-1-yl)acetamide

C24H33N5O5S — CID 155566309

About N-[6-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-1,3-dihydro-2-benzofuran-4-yl]-2-(4-propan-2-ylpiperazin-1-yl)acetamide

N-[6-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-1,3-dihydro-2-benzofuran-4-yl]-2-(4-propan-2-ylpiperazin-1-yl)acetamide (PubChem CID 155566309) has the molecular formula C24H33N5O5S and a molecular weight of 503.63 g/mol. Its IUPAC name is N-[6-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-1,3-dihydro-2-benzofuran-4-yl]-2-(4-propan-2-ylpiperazin-1-yl)acetamide.

Molecular Properties

• Compound Name: N-[6-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-1,3-dihydro-2-benzofuran-4-yl]-2-(4-propan-2-ylpiperazin-1-yl)acetamide
• PubChem CID: 155566309
• Molecular Formula: C24H33N5O5S
• Molecular Weight: 503.63 g/mol
• Exact Mass: 503.22
• IUPAC Name: N-[6-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-1,3-dihydro-2-benzofuran-4-yl]-2-(4-propan-2-ylpiperazin-1-yl)acetamide
• SMILES: COc1ncc(-c2cc3c(c(NC(=O)CN4CCN(C(C)C)CC4)c2)COC3)cc1NS(C)(=O)=O
• InChI: InChI=1S/C24H33N5O5S/c1-16(2)29-7-5-28(6-8-29)13-23(30)26-21-10-17(9-19-14-34-15-20(19)21)18-11-22(27-35(4,31)32)24(33-3)25-12-18/h9-12,16,27H,5-8,13-15H2,1-4H3,(H,26,30)
• InChIKey: YAKFKOVTIRKZFC-UHFFFAOYSA-N
• XLogP: 2.12
• TPSA: 113.10 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	503.63
LogP ≤ 5	2.12
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[6-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-1,3-dihydro-2-benzofuran-4-yl]-2-(4-propan-2-ylpiperazin-1-yl)acetamide?

The IUPAC name of N-[6-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-1,3-dihydro-2-benzofuran-4-yl]-2-(4-propan-2-ylpiperazin-1-yl)acetamide (CID 155566309) is N-[6-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-1,3-dihydro-2-benzofuran-4-yl]-2-(4-propan-2-ylpiperazin-1-yl)acetamide.

What is the SMILES notation for N-[6-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-1,3-dihydro-2-benzofuran-4-yl]-2-(4-propan-2-ylpiperazin-1-yl)acetamide?

The canonical SMILES for N-[6-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-1,3-dihydro-2-benzofuran-4-yl]-2-(4-propan-2-ylpiperazin-1-yl)acetamide is COc1ncc(-c2cc3c(c(NC(=O)CN4CCN(C(C)C)CC4)c2)COC3)cc1NS(C)(=O)=O.

What is the InChIKey of N-[6-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-1,3-dihydro-2-benzofuran-4-yl]-2-(4-propan-2-ylpiperazin-1-yl)acetamide?

The InChIKey is YAKFKOVTIRKZFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O5S/c1-16(2)29-7-5-28(6-8-29)13-23(30)26-21-10-17(9-19-14-34-15-20(19)21)18-11-22(27-35(4,31)32)24(33-3)25-12-18/h9-12,16,27H,5-8,13-15H2,1-4H3,(H,26,30).

What are the key properties of N-[6-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-1,3-dihydro-2-benzofuran-4-yl]-2-(4-propan-2-ylpiperazin-1-yl)acetamide?

N-[6-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-1,3-dihydro-2-benzofuran-4-yl]-2-(4-propan-2-ylpiperazin-1-yl)acetamide has a molecular weight of 503.63 g/mol, XLogP of 2.12, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-1,3-dihydro-2-benzofuran-4-yl]-2-(4-propan-2-ylpiperazin-1-yl)acetamide is sourced from PubChem (CID 155566309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).