N-[5-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-2,2-dimethylcyclohexyl]ethanesulfonamide

C22H36N4O3S — CID 71116912

IUPACN-[5-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-2,2-dimethylcyclohexyl]ethanesulfonamide
SMILESCCS(=O)(=O)NC1CC(c2ccc3c(n2)n(C)c(=O)n3CC(C)(C)C)CCC1(C)C
InChIInChI=1S/C22H36N4O3S/c1-8-30(28,29)24-18-13-15(11-12-22(18,5)6)16-9-10-17-19(23-16)25(7)20(27)26(17)14-21(2,3)4/h9-10,15,18,24H,8,11-14H2,1-7H3
InChIKeyLYAYTDKSNBZFAA-UHFFFAOYSA-N
MW436.62 g/mol
LogP3.38
Rot. Bonds5

About N-[5-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-2,2-dimethylcyclohexyl]ethanesulfonamide

N-[5-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-2,2-dimethylcyclohexyl]ethanesulfonamide (PubChem CID 71116912) has the molecular formula C22H36N4O3S and a molecular weight of 436.62 g/mol. Its IUPAC name is N-[5-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-2,2-dimethylcyclohexyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[5-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-2,2-dimethylcyclohexyl]ethanesulfonamide
PubChem CID71116912
Molecular FormulaC22H36N4O3S
Molecular Weight436.62 g/mol
Exact Mass436.25
IUPAC NameN-[5-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-2,2-dimethylcyclohexyl]ethanesulfonamide
SMILESCCS(=O)(=O)NC1CC(c2ccc3c(n2)n(C)c(=O)n3CC(C)(C)C)CCC1(C)C
InChIInChI=1S/C22H36N4O3S/c1-8-30(28,29)24-18-13-15(11-12-22(18,5)6)16-9-10-17-19(23-16)25(7)20(27)26(17)14-21(2,3)4/h9-10,15,18,24H,8,11-14H2,1-7H3
InChIKeyLYAYTDKSNBZFAA-UHFFFAOYSA-N
XLogP3.38
TPSA85.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.62
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-2,2-dimethylcyclohexyl]ethanesulfonamide?
The IUPAC name of N-[5-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-2,2-dimethylcyclohexyl]ethanesulfonamide (CID 71116912) is N-[5-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-2,2-dimethylcyclohexyl]ethanesulfonamide.
What is the SMILES notation for N-[5-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-2,2-dimethylcyclohexyl]ethanesulfonamide?
The canonical SMILES for N-[5-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-2,2-dimethylcyclohexyl]ethanesulfonamide is CCS(=O)(=O)NC1CC(c2ccc3c(n2)n(C)c(=O)n3CC(C)(C)C)CCC1(C)C.
What is the InChIKey of N-[5-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-2,2-dimethylcyclohexyl]ethanesulfonamide?
The InChIKey is LYAYTDKSNBZFAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N4O3S/c1-8-30(28,29)24-18-13-15(11-12-22(18,5)6)16-9-10-17-19(23-16)25(7)20(27)26(17)14-21(2,3)4/h9-10,15,18,24H,8,11-14H2,1-7H3.
What are the key properties of N-[5-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-2,2-dimethylcyclohexyl]ethanesulfonamide?
N-[5-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-2,2-dimethylcyclohexyl]ethanesulfonamide has a molecular weight of 436.62 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-2,2-dimethylcyclohexyl]ethanesulfonamide is sourced from PubChem (CID 71116912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).