3-cyclohexyl-N-[4-[(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)sulfonyl]phenyl]propanamide

C26H33N3O4S — CID 3501902

About 3-cyclohexyl-N-[4-[(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)sulfonyl]phenyl]propanamide

3-cyclohexyl-N-[4-[(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)sulfonyl]phenyl]propanamide (PubChem CID 3501902) has the molecular formula C26H33N3O4S and a molecular weight of 483.63 g/mol. Its IUPAC name is 3-cyclohexyl-N-[4-[(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)sulfonyl]phenyl]propanamide.

Molecular Properties

• Compound Name: 3-cyclohexyl-N-[4-[(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)sulfonyl]phenyl]propanamide
• PubChem CID: 3501902
• Molecular Formula: C26H33N3O4S
• Molecular Weight: 483.63 g/mol
• Exact Mass: 483.22
• IUPAC Name: 3-cyclohexyl-N-[4-[(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)sulfonyl]phenyl]propanamide
• SMILES: O=C(CCC1CCCCC1)Nc1ccc(S(=O)(=O)N2CC3CC(C2)c2cccc(=O)n2C3)cc1
• InChI: InChI=1S/C26H33N3O4S/c30-25(14-9-19-5-2-1-3-6-19)27-22-10-12-23(13-11-22)34(32,33)28-16-20-15-21(18-28)24-7-4-8-26(31)29(24)17-20/h4,7-8,10-13,19-21H,1-3,5-6,9,14-18H2,(H,27,30)
• InChIKey: GAKFJYZTZHWCBV-UHFFFAOYSA-N
• XLogP: 3.96
• TPSA: 88.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	483.63
LogP ≤ 5	3.96
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 3-cyclohexyl-N-[4-[(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)sulfonyl]phenyl]propanamide (CID 3501902) is 3-cyclohexyl-N-[4-[(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)sulfonyl]phenyl]propanamide.

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

The canonical SMILES for 3-cyclohexyl-N-[4-[(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)sulfonyl]phenyl]propanamide is O=C(CCC1CCCCC1)Nc1ccc(S(=O)(=O)N2CC3CC(C2)c2cccc(=O)n2C3)cc1.

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

The InChIKey is GAKFJYZTZHWCBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O4S/c30-25(14-9-19-5-2-1-3-6-19)27-22-10-12-23(13-11-22)34(32,33)28-16-20-15-21(18-28)24-7-4-8-26(31)29(24)17-20/h4,7-8,10-13,19-21H,1-3,5-6,9,14-18H2,(H,27,30).

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

3-cyclohexyl-N-[4-[(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)sulfonyl]phenyl]propanamide has a molecular weight of 483.63 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-cyclohexyl-N-[4-[(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)sulfonyl]phenyl]propanamide is sourced from PubChem (CID 3501902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).