N-[2-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]ethanesulfonamide

C17H20N4O2S — CID 46286417

IUPACN-[2-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCCn1c(-c2ccc(C)cc2)nc2cccnc21
InChIInChI=1S/C17H20N4O2S/c1-3-24(22,23)19-11-12-21-16(14-8-6-13(2)7-9-14)20-15-5-4-10-18-17(15)21/h4-10,19H,3,11-12H2,1-2H3
InChIKeyCWLMMRRLZTZLCA-UHFFFAOYSA-N
MW344.44 g/mol
LogP2.35
Rot. Bonds6

About N-[2-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]ethanesulfonamide

N-[2-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]ethanesulfonamide (PubChem CID 46286417) has the molecular formula C17H20N4O2S and a molecular weight of 344.44 g/mol. Its IUPAC name is N-[2-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[2-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]ethanesulfonamide
PubChem CID46286417
Molecular FormulaC17H20N4O2S
Molecular Weight344.44 g/mol
Exact Mass344.13
IUPAC NameN-[2-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCCn1c(-c2ccc(C)cc2)nc2cccnc21
InChIInChI=1S/C17H20N4O2S/c1-3-24(22,23)19-11-12-21-16(14-8-6-13(2)7-9-14)20-15-5-4-10-18-17(15)21/h4-10,19H,3,11-12H2,1-2H3
InChIKeyCWLMMRRLZTZLCA-UHFFFAOYSA-N
XLogP2.35
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]ethanesulfonamide?
The IUPAC name of N-[2-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]ethanesulfonamide (CID 46286417) is N-[2-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]ethanesulfonamide.
What is the SMILES notation for N-[2-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]ethanesulfonamide?
The canonical SMILES for N-[2-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]ethanesulfonamide is CCS(=O)(=O)NCCn1c(-c2ccc(C)cc2)nc2cccnc21.
What is the InChIKey of N-[2-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]ethanesulfonamide?
The InChIKey is CWLMMRRLZTZLCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2S/c1-3-24(22,23)19-11-12-21-16(14-8-6-13(2)7-9-14)20-15-5-4-10-18-17(15)21/h4-10,19H,3,11-12H2,1-2H3.
What are the key properties of N-[2-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]ethanesulfonamide?
N-[2-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]ethanesulfonamide has a molecular weight of 344.44 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]ethanesulfonamide is sourced from PubChem (CID 46286417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).