N-[(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)methyl]-4-methylbenzenesulfonamide

C20H24N4O2S — CID 53022486

IUPACN-[(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)methyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2nc3cccnc3n2C2CCCCC2)cc1
InChIInChI=1S/C20H24N4O2S/c1-15-9-11-17(12-10-15)27(25,26)22-14-19-23-18-8-5-13-21-20(18)24(19)16-6-3-2-4-7-16/h5,8-13,16,22H,2-4,6-7,14H2,1H3
InChIKeyNRXCMDXFEGIWLQ-UHFFFAOYSA-N
MW384.51 g/mol
LogP3.72
Rot. Bonds5

About N-[(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)methyl]-4-methylbenzenesulfonamide

N-[(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)methyl]-4-methylbenzenesulfonamide (PubChem CID 53022486) has the molecular formula C20H24N4O2S and a molecular weight of 384.51 g/mol. Its IUPAC name is N-[(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)methyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)methyl]-4-methylbenzenesulfonamide
PubChem CID53022486
Molecular FormulaC20H24N4O2S
Molecular Weight384.51 g/mol
Exact Mass384.16
IUPAC NameN-[(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)methyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2nc3cccnc3n2C2CCCCC2)cc1
InChIInChI=1S/C20H24N4O2S/c1-15-9-11-17(12-10-15)27(25,26)22-14-19-23-18-8-5-13-21-20(18)24(19)16-6-3-2-4-7-16/h5,8-13,16,22H,2-4,6-7,14H2,1H3
InChIKeyNRXCMDXFEGIWLQ-UHFFFAOYSA-N
XLogP3.72
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.51
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)methyl]-4-methylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)methyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)methyl]-4-methylbenzenesulfonamide (CID 53022486) is N-[(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)methyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)methyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)methyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NCc2nc3cccnc3n2C2CCCCC2)cc1.
What is the InChIKey of N-[(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)methyl]-4-methylbenzenesulfonamide?
The InChIKey is NRXCMDXFEGIWLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2S/c1-15-9-11-17(12-10-15)27(25,26)22-14-19-23-18-8-5-13-21-20(18)24(19)16-6-3-2-4-7-16/h5,8-13,16,22H,2-4,6-7,14H2,1H3.
What are the key properties of N-[(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)methyl]-4-methylbenzenesulfonamide?
N-[(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)methyl]-4-methylbenzenesulfonamide has a molecular weight of 384.51 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)methyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 53022486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).