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

C24H23N3O3S — CID 78524900

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

N-[4-[6-oxo-11-(thiophene-2-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-3-yl]phenyl]acetamide (PubChem CID 78524900) has the molecular formula C24H23N3O3S and a molecular weight of 433.53 g/mol. Its IUPAC name is N-[4-[6-oxo-11-(thiophene-2-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-3-yl]phenyl]acetamide.

Molecular Properties

• Compound Name: N-[4-[6-oxo-11-(thiophene-2-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-3-yl]phenyl]acetamide
• PubChem CID: 78524900
• Molecular Formula: C24H23N3O3S
• Molecular Weight: 433.53 g/mol
• Exact Mass: 433.15
• IUPAC Name: N-[4-[6-oxo-11-(thiophene-2-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-3-yl]phenyl]acetamide
• SMILES: CC(=O)Nc1ccc(-c2ccc(=O)n3c2C2CC(CN(C(=O)c4cccs4)C2)C3)cc1
• InChI: InChI=1S/C24H23N3O3S/c1-15(28)25-19-6-4-17(5-7-19)20-8-9-22(29)27-13-16-11-18(23(20)27)14-26(12-16)24(30)21-3-2-10-31-21/h2-10,16,18H,11-14H2,1H3,(H,25,28)
• InChIKey: SGONQOKIAKIHBH-UHFFFAOYSA-N
• XLogP: 3.79
• TPSA: 71.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.53
LogP ≤ 5	3.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-[4-[6-oxo-11-(thiophene-2-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-3-yl]phenyl]acetamide (CID 78524900) is N-[4-[6-oxo-11-(thiophene-2-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-3-yl]phenyl]acetamide.

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

The canonical SMILES for N-[4-[6-oxo-11-(thiophene-2-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-3-yl]phenyl]acetamide is CC(=O)Nc1ccc(-c2ccc(=O)n3c2C2CC(CN(C(=O)c4cccs4)C2)C3)cc1.

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

The InChIKey is SGONQOKIAKIHBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3S/c1-15(28)25-19-6-4-17(5-7-19)20-8-9-22(29)27-13-16-11-18(23(20)27)14-26(12-16)24(30)21-3-2-10-31-21/h2-10,16,18H,11-14H2,1H3,(H,25,28).

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

N-[4-[6-oxo-11-(thiophene-2-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-3-yl]phenyl]acetamide has a molecular weight of 433.53 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[6-oxo-11-(thiophene-2-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-3-yl]phenyl]acetamide is sourced from PubChem (CID 78524900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).