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

C30H28N4O5S — CID 73132494

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

N-[4-[[11-(naphthalene-2-carbonyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]sulfamoyl]phenyl]acetamide (PubChem CID 73132494) has the molecular formula C30H28N4O5S and a molecular weight of 556.64 g/mol. Its IUPAC name is N-[4-[[11-(naphthalene-2-carbonyl)-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-(naphthalene-2-carbonyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]sulfamoyl]phenyl]acetamide
• PubChem CID: 73132494
• Molecular Formula: C30H28N4O5S
• Molecular Weight: 556.64 g/mol
• Exact Mass: 556.18
• IUPAC Name: N-[4-[[11-(naphthalene-2-carbonyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]sulfamoyl]phenyl]acetamide
• SMILES: CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3n(c2=O)CC2CC3CN(C(=O)c3ccc4ccccc4c3)C2)cc1
• InChI: InChI=1S/C30H28N4O5S/c1-19(35)31-25-8-10-26(11-9-25)40(38,39)32-27-12-13-28-24-14-20(17-34(28)30(27)37)16-33(18-24)29(36)23-7-6-21-4-2-3-5-22(21)15-23/h2-13,15,20,24,32H,14,16-18H2,1H3,(H,31,35)
• InChIKey: QNBPDAHHHPUVTE-UHFFFAOYSA-N
• XLogP: 4.02
• TPSA: 117.58 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	556.64
LogP ≤ 5	4.02
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[4-[[11-(naphthalene-2-carbonyl)-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-(naphthalene-2-carbonyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]sulfamoyl]phenyl]acetamide (CID 73132494) is N-[4-[[11-(naphthalene-2-carbonyl)-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-(naphthalene-2-carbonyl)-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-(naphthalene-2-carbonyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3n(c2=O)CC2CC3CN(C(=O)c3ccc4ccccc4c3)C2)cc1.

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

The InChIKey is QNBPDAHHHPUVTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N4O5S/c1-19(35)31-25-8-10-26(11-9-25)40(38,39)32-27-12-13-28-24-14-20(17-34(28)30(27)37)16-33(18-24)29(36)23-7-6-21-4-2-3-5-22(21)15-23/h2-13,15,20,24,32H,14,16-18H2,1H3,(H,31,35).

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

N-[4-[[11-(naphthalene-2-carbonyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]sulfamoyl]phenyl]acetamide has a molecular weight of 556.64 g/mol, XLogP of 4.02, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[[11-(naphthalene-2-carbonyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 73132494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).