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

C22H33N3O6S — CID 167081030

IUPACN-(3,13-dimethyl-11-oxo-7,10,18-trioxa-12,24-diazatetracyclo[17.2.2.12,6.012,16]tetracosa-2,4,6(24)-trien-15-yl)methanesulfonamide
SMILESCc1ccc2nc1C1CCC(CC1)OCC1C(NS(C)(=O)=O)CC(C)N1C(=O)OCCO2
InChIInChI=1S/C22H33N3O6S/c1-14-4-9-20-23-21(14)16-5-7-17(8-6-16)31-13-19-18(24-32(3,27)28)12-15(2)25(19)22(26)30-11-10-29-20/h4,9,15-19,24H,5-8,10-13H2,1-3H3
InChIKeyNQKQGEGFPCILBI-UHFFFAOYSA-N
MW467.59 g/mol
LogP2.34
Rot. Bonds2

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

N-(3,13-dimethyl-11-oxo-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 167081030) has the molecular formula C22H33N3O6S and a molecular weight of 467.59 g/mol. Its IUPAC name is N-(3,13-dimethyl-11-oxo-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 NameN-(3,13-dimethyl-11-oxo-7,10,18-trioxa-12,24-diazatetracyclo[17.2.2.12,6.012,16]tetracosa-2,4,6(24)-trien-15-yl)methanesulfonamide
PubChem CID167081030
Molecular FormulaC22H33N3O6S
Molecular Weight467.59 g/mol
Exact Mass467.21
IUPAC NameN-(3,13-dimethyl-11-oxo-7,10,18-trioxa-12,24-diazatetracyclo[17.2.2.12,6.012,16]tetracosa-2,4,6(24)-trien-15-yl)methanesulfonamide
SMILESCc1ccc2nc1C1CCC(CC1)OCC1C(NS(C)(=O)=O)CC(C)N1C(=O)OCCO2
InChIInChI=1S/C22H33N3O6S/c1-14-4-9-20-23-21(14)16-5-7-17(8-6-16)31-13-19-18(24-32(3,27)28)12-15(2)25(19)22(26)30-11-10-29-20/h4,9,15-19,24H,5-8,10-13H2,1-3H3
InChIKeyNQKQGEGFPCILBI-UHFFFAOYSA-N
XLogP2.34
TPSA107.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.59
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of N-(3,13-dimethyl-11-oxo-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-(3,13-dimethyl-11-oxo-7,10,18-trioxa-12,24-diazatetracyclo[17.2.2.12,6.012,16]tetracosa-2,4,6(24)-trien-15-yl)methanesulfonamide (CID 167081030) is N-(3,13-dimethyl-11-oxo-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-(3,13-dimethyl-11-oxo-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-(3,13-dimethyl-11-oxo-7,10,18-trioxa-12,24-diazatetracyclo[17.2.2.12,6.012,16]tetracosa-2,4,6(24)-trien-15-yl)methanesulfonamide is Cc1ccc2nc1C1CCC(CC1)OCC1C(NS(C)(=O)=O)CC(C)N1C(=O)OCCO2.
What is the InChIKey of N-(3,13-dimethyl-11-oxo-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 NQKQGEGFPCILBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O6S/c1-14-4-9-20-23-21(14)16-5-7-17(8-6-16)31-13-19-18(24-32(3,27)28)12-15(2)25(19)22(26)30-11-10-29-20/h4,9,15-19,24H,5-8,10-13H2,1-3H3.
What are the key properties of N-(3,13-dimethyl-11-oxo-7,10,18-trioxa-12,24-diazatetracyclo[17.2.2.12,6.012,16]tetracosa-2,4,6(24)-trien-15-yl)methanesulfonamide?
N-(3,13-dimethyl-11-oxo-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 467.59 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,13-dimethyl-11-oxo-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 167081030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).