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

C20H26N4O3S — CID 54761748

IUPAC3-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1cccc(-c2ccc3c(n2)n(C)c(=O)n3CC(C)(C)C)c1
InChIInChI=1S/C20H26N4O3S/c1-20(2,3)13-24-17-11-10-16(21-18(17)23(6)19(24)25)14-8-7-9-15(12-14)28(26,27)22(4)5/h7-12H,13H2,1-6H3
InChIKeyFUWHMTUWPXYRPU-UHFFFAOYSA-N
MW402.52 g/mol
LogP2.70
Rot. Bonds4

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

3-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-N,N-dimethylbenzenesulfonamide (PubChem CID 54761748) has the molecular formula C20H26N4O3S and a molecular weight of 402.52 g/mol. Its IUPAC name is 3-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name3-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-N,N-dimethylbenzenesulfonamide
PubChem CID54761748
Molecular FormulaC20H26N4O3S
Molecular Weight402.52 g/mol
Exact Mass402.17
IUPAC Name3-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1cccc(-c2ccc3c(n2)n(C)c(=O)n3CC(C)(C)C)c1
InChIInChI=1S/C20H26N4O3S/c1-20(2,3)13-24-17-11-10-16(21-18(17)23(6)19(24)25)14-8-7-9-15(12-14)28(26,27)22(4)5/h7-12H,13H2,1-6H3
InChIKeyFUWHMTUWPXYRPU-UHFFFAOYSA-N
XLogP2.70
TPSA77.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 3-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-N,N-dimethylbenzenesulfonamide (CID 54761748) is 3-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 3-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 3-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-N,N-dimethylbenzenesulfonamide is CN(C)S(=O)(=O)c1cccc(-c2ccc3c(n2)n(C)c(=O)n3CC(C)(C)C)c1.
What is the InChIKey of 3-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-N,N-dimethylbenzenesulfonamide?
The InChIKey is FUWHMTUWPXYRPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3S/c1-20(2,3)13-24-17-11-10-16(21-18(17)23(6)19(24)25)14-8-7-9-15(12-14)28(26,27)22(4)5/h7-12H,13H2,1-6H3.
What are the key properties of 3-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-N,N-dimethylbenzenesulfonamide?
3-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-N,N-dimethylbenzenesulfonamide has a molecular weight of 402.52 g/mol, XLogP of 2.70, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 54761748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).