N-[13-[(dimethylamino)methyl]-11-oxo-3-(trifluoromethyl)-7,10,18-trioxa-12,24-diazatetracyclo[17.2.2.12,6.012,16]tetracosa-2,4,6(24)-trien-15-yl]methanesulfonamide

C24H35F3N4O6S — CID 163370319

About N-[13-[(dimethylamino)methyl]-11-oxo-3-(trifluoromethyl)-7,10,18-trioxa-12,24-diazatetracyclo[17.2.2.12,6.012,16]tetracosa-2,4,6(24)-trien-15-yl]methanesulfonamide

N-[13-[(dimethylamino)methyl]-11-oxo-3-(trifluoromethyl)-7,10,18-trioxa-12,24-diazatetracyclo[17.2.2.12,6.012,16]tetracosa-2,4,6(24)-trien-15-yl]methanesulfonamide (PubChem CID 163370319) has the molecular formula C24H35F3N4O6S and a molecular weight of 564.63 g/mol. Its IUPAC name is N-[13-[(dimethylamino)methyl]-11-oxo-3-(trifluoromethyl)-7,10,18-trioxa-12,24-diazatetracyclo[17.2.2.12,6.012,16]tetracosa-2,4,6(24)-trien-15-yl]methanesulfonamide.

Molecular Properties

• Compound Name: N-[13-[(dimethylamino)methyl]-11-oxo-3-(trifluoromethyl)-7,10,18-trioxa-12,24-diazatetracyclo[17.2.2.12,6.012,16]tetracosa-2,4,6(24)-trien-15-yl]methanesulfonamide
• PubChem CID: 163370319
• Molecular Formula: C24H35F3N4O6S
• Molecular Weight: 564.63 g/mol
• Exact Mass: 564.22
• IUPAC Name: N-[13-[(dimethylamino)methyl]-11-oxo-3-(trifluoromethyl)-7,10,18-trioxa-12,24-diazatetracyclo[17.2.2.12,6.012,16]tetracosa-2,4,6(24)-trien-15-yl]methanesulfonamide
• SMILES: CN(C)CC1CC(NS(C)(=O)=O)C2COC3CCC(CC3)c3nc(ccc3C(F)(F)F)OCCOC(=O)N12
• InChI: InChI=1S/C24H35F3N4O6S/c1-30(2)13-16-12-19(29-38(3,33)34)20-14-37-17-6-4-15(5-7-17)22-18(24(25,26)27)8-9-21(28-22)35-10-11-36-23(32)31(16)20/h8-9,15-17,19-20,29H,4-7,10-14H2,1-3H3
• InChIKey: REXLJUQSBJNKAZ-UHFFFAOYSA-N
• XLogP: 2.59
• TPSA: 110.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	564.63
LogP ≤ 5	2.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[13-[(dimethylamino)methyl]-11-oxo-3-(trifluoromethyl)-7,10,18-trioxa-12,24-diazatetracyclo[17.2.2.12,6.012,16]tetracosa-2,4,6(24)-trien-15-yl]methanesulfonamide?

The IUPAC name of N-[13-[(dimethylamino)methyl]-11-oxo-3-(trifluoromethyl)-7,10,18-trioxa-12,24-diazatetracyclo[17.2.2.12,6.012,16]tetracosa-2,4,6(24)-trien-15-yl]methanesulfonamide (CID 163370319) is N-[13-[(dimethylamino)methyl]-11-oxo-3-(trifluoromethyl)-7,10,18-trioxa-12,24-diazatetracyclo[17.2.2.12,6.012,16]tetracosa-2,4,6(24)-trien-15-yl]methanesulfonamide.

What is the SMILES notation for N-[13-[(dimethylamino)methyl]-11-oxo-3-(trifluoromethyl)-7,10,18-trioxa-12,24-diazatetracyclo[17.2.2.12,6.012,16]tetracosa-2,4,6(24)-trien-15-yl]methanesulfonamide?

The canonical SMILES for N-[13-[(dimethylamino)methyl]-11-oxo-3-(trifluoromethyl)-7,10,18-trioxa-12,24-diazatetracyclo[17.2.2.12,6.012,16]tetracosa-2,4,6(24)-trien-15-yl]methanesulfonamide is CN(C)CC1CC(NS(C)(=O)=O)C2COC3CCC(CC3)c3nc(ccc3C(F)(F)F)OCCOC(=O)N12.

What is the InChIKey of N-[13-[(dimethylamino)methyl]-11-oxo-3-(trifluoromethyl)-7,10,18-trioxa-12,24-diazatetracyclo[17.2.2.12,6.012,16]tetracosa-2,4,6(24)-trien-15-yl]methanesulfonamide?

The InChIKey is REXLJUQSBJNKAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35F3N4O6S/c1-30(2)13-16-12-19(29-38(3,33)34)20-14-37-17-6-4-15(5-7-17)22-18(24(25,26)27)8-9-21(28-22)35-10-11-36-23(32)31(16)20/h8-9,15-17,19-20,29H,4-7,10-14H2,1-3H3.

What are the key properties of N-[13-[(dimethylamino)methyl]-11-oxo-3-(trifluoromethyl)-7,10,18-trioxa-12,24-diazatetracyclo[17.2.2.12,6.012,16]tetracosa-2,4,6(24)-trien-15-yl]methanesulfonamide?

N-[13-[(dimethylamino)methyl]-11-oxo-3-(trifluoromethyl)-7,10,18-trioxa-12,24-diazatetracyclo[17.2.2.12,6.012,16]tetracosa-2,4,6(24)-trien-15-yl]methanesulfonamide has a molecular weight of 564.63 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[13-[(dimethylamino)methyl]-11-oxo-3-(trifluoromethyl)-7,10,18-trioxa-12,24-diazatetracyclo[17.2.2.12,6.012,16]tetracosa-2,4,6(24)-trien-15-yl]methanesulfonamide is sourced from PubChem (CID 163370319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).