N-(14-methyl-12-oxo-7,11,19-trioxa-13,25-diazatetracyclo[18.2.2.12,6.013,17]pentacosa-2(25),3,5-trien-16-yl)methanesulfonamide

C22H33N3O6S — CID 167081036

IUPACN-(14-methyl-12-oxo-7,11,19-trioxa-13,25-diazatetracyclo[18.2.2.12,6.013,17]pentacosa-2(25),3,5-trien-16-yl)methanesulfonamide
SMILESCC1CC(NS(C)(=O)=O)C2COC3CCC(CC3)c3cccc(n3)OCCCOC(=O)N12
InChIInChI=1S/C22H33N3O6S/c1-15-13-19(24-32(2,27)28)20-14-31-17-9-7-16(8-10-17)18-5-3-6-21(23-18)29-11-4-12-30-22(26)25(15)20/h3,5-6,15-17,19-20,24H,4,7-14H2,1-2H3
InChIKeyFHGPLEXQYXUKIC-UHFFFAOYSA-N
MW467.59 g/mol
LogP2.42
Rot. Bonds2

About N-(14-methyl-12-oxo-7,11,19-trioxa-13,25-diazatetracyclo[18.2.2.12,6.013,17]pentacosa-2(25),3,5-trien-16-yl)methanesulfonamide

N-(14-methyl-12-oxo-7,11,19-trioxa-13,25-diazatetracyclo[18.2.2.12,6.013,17]pentacosa-2(25),3,5-trien-16-yl)methanesulfonamide (PubChem CID 167081036) has the molecular formula C22H33N3O6S and a molecular weight of 467.59 g/mol. Its IUPAC name is N-(14-methyl-12-oxo-7,11,19-trioxa-13,25-diazatetracyclo[18.2.2.12,6.013,17]pentacosa-2(25),3,5-trien-16-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(14-methyl-12-oxo-7,11,19-trioxa-13,25-diazatetracyclo[18.2.2.12,6.013,17]pentacosa-2(25),3,5-trien-16-yl)methanesulfonamide
PubChem CID167081036
Molecular FormulaC22H33N3O6S
Molecular Weight467.59 g/mol
Exact Mass467.21
IUPAC NameN-(14-methyl-12-oxo-7,11,19-trioxa-13,25-diazatetracyclo[18.2.2.12,6.013,17]pentacosa-2(25),3,5-trien-16-yl)methanesulfonamide
SMILESCC1CC(NS(C)(=O)=O)C2COC3CCC(CC3)c3cccc(n3)OCCCOC(=O)N12
InChIInChI=1S/C22H33N3O6S/c1-15-13-19(24-32(2,27)28)20-14-31-17-9-7-16(8-10-17)18-5-3-6-21(23-18)29-11-4-12-30-22(26)25(15)20/h3,5-6,15-17,19-20,24H,4,7-14H2,1-2H3
InChIKeyFHGPLEXQYXUKIC-UHFFFAOYSA-N
XLogP2.42
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 ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(14-methyl-12-oxo-7,11,19-trioxa-13,25-diazatetracyclo[18.2.2.12,6.013,17]pentacosa-2(25),3,5-trien-16-yl)methanesulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(14-methyl-12-oxo-7,11,19-trioxa-13,25-diazatetracyclo[18.2.2.12,6.013,17]pentacosa-2(25),3,5-trien-16-yl)methanesulfonamide?
The IUPAC name of N-(14-methyl-12-oxo-7,11,19-trioxa-13,25-diazatetracyclo[18.2.2.12,6.013,17]pentacosa-2(25),3,5-trien-16-yl)methanesulfonamide (CID 167081036) is N-(14-methyl-12-oxo-7,11,19-trioxa-13,25-diazatetracyclo[18.2.2.12,6.013,17]pentacosa-2(25),3,5-trien-16-yl)methanesulfonamide.
What is the SMILES notation for N-(14-methyl-12-oxo-7,11,19-trioxa-13,25-diazatetracyclo[18.2.2.12,6.013,17]pentacosa-2(25),3,5-trien-16-yl)methanesulfonamide?
The canonical SMILES for N-(14-methyl-12-oxo-7,11,19-trioxa-13,25-diazatetracyclo[18.2.2.12,6.013,17]pentacosa-2(25),3,5-trien-16-yl)methanesulfonamide is CC1CC(NS(C)(=O)=O)C2COC3CCC(CC3)c3cccc(n3)OCCCOC(=O)N12.
What is the InChIKey of N-(14-methyl-12-oxo-7,11,19-trioxa-13,25-diazatetracyclo[18.2.2.12,6.013,17]pentacosa-2(25),3,5-trien-16-yl)methanesulfonamide?
The InChIKey is FHGPLEXQYXUKIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O6S/c1-15-13-19(24-32(2,27)28)20-14-31-17-9-7-16(8-10-17)18-5-3-6-21(23-18)29-11-4-12-30-22(26)25(15)20/h3,5-6,15-17,19-20,24H,4,7-14H2,1-2H3.
What are the key properties of N-(14-methyl-12-oxo-7,11,19-trioxa-13,25-diazatetracyclo[18.2.2.12,6.013,17]pentacosa-2(25),3,5-trien-16-yl)methanesulfonamide?
N-(14-methyl-12-oxo-7,11,19-trioxa-13,25-diazatetracyclo[18.2.2.12,6.013,17]pentacosa-2(25),3,5-trien-16-yl)methanesulfonamide has a molecular weight of 467.59 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(14-methyl-12-oxo-7,11,19-trioxa-13,25-diazatetracyclo[18.2.2.12,6.013,17]pentacosa-2(25),3,5-trien-16-yl)methanesulfonamide is sourced from PubChem (CID 167081036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).