N-[4-[[11-(3-methoxypropanoyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]sulfamoyl]phenyl]acetamide

C23H28N4O6S — CID 73132482

About N-[4-[[11-(3-methoxypropanoyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]sulfamoyl]phenyl]acetamide

N-[4-[[11-(3-methoxypropanoyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]sulfamoyl]phenyl]acetamide (PubChem CID 73132482) has the molecular formula C23H28N4O6S and a molecular weight of 488.57 g/mol. Its IUPAC name is N-[4-[[11-(3-methoxypropanoyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]sulfamoyl]phenyl]acetamide.

Molecular Properties

• Compound Name: N-[4-[[11-(3-methoxypropanoyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]sulfamoyl]phenyl]acetamide
• PubChem CID: 73132482
• Molecular Formula: C23H28N4O6S
• Molecular Weight: 488.57 g/mol
• Exact Mass: 488.17
• IUPAC Name: N-[4-[[11-(3-methoxypropanoyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]sulfamoyl]phenyl]acetamide
• SMILES: COCCC(=O)N1CC2CC(C1)c1ccc(NS(=O)(=O)c3ccc(NC(C)=O)cc3)c(=O)n1C2
• InChI: InChI=1S/C23H28N4O6S/c1-15(28)24-18-3-5-19(6-4-18)34(31,32)25-20-7-8-21-17-11-16(13-27(21)23(20)30)12-26(14-17)22(29)9-10-33-2/h3-8,16-17,25H,9-14H2,1-2H3,(H,24,28)
• InChIKey: LWUAWHKFLQWWTJ-UHFFFAOYSA-N
• XLogP: 1.59
• TPSA: 126.81 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	488.57
LogP ≤ 5	1.59
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[4-[[11-(3-methoxypropanoyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]sulfamoyl]phenyl]acetamide?

The IUPAC name of N-[4-[[11-(3-methoxypropanoyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]sulfamoyl]phenyl]acetamide (CID 73132482) is N-[4-[[11-(3-methoxypropanoyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]sulfamoyl]phenyl]acetamide.

What is the SMILES notation for N-[4-[[11-(3-methoxypropanoyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]sulfamoyl]phenyl]acetamide?

The canonical SMILES for N-[4-[[11-(3-methoxypropanoyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]sulfamoyl]phenyl]acetamide is COCCC(=O)N1CC2CC(C1)c1ccc(NS(=O)(=O)c3ccc(NC(C)=O)cc3)c(=O)n1C2.

What is the InChIKey of N-[4-[[11-(3-methoxypropanoyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]sulfamoyl]phenyl]acetamide?

The InChIKey is LWUAWHKFLQWWTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O6S/c1-15(28)24-18-3-5-19(6-4-18)34(31,32)25-20-7-8-21-17-11-16(13-27(21)23(20)30)12-26(14-17)22(29)9-10-33-2/h3-8,16-17,25H,9-14H2,1-2H3,(H,24,28).

What are the key properties of N-[4-[[11-(3-methoxypropanoyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]sulfamoyl]phenyl]acetamide?

N-[4-[[11-(3-methoxypropanoyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]sulfamoyl]phenyl]acetamide has a molecular weight of 488.57 g/mol, XLogP of 1.59, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[[11-(3-methoxypropanoyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 73132482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).