N-[[3-[(3-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl]-4-(2-methylpropyl)benzenesulfonamide

C25H28N4O2S — CID 53020746

IUPACN-[[3-[(3-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl]-4-(2-methylpropyl)benzenesulfonamide
SMILESCc1cccc(Cn2c(CNS(=O)(=O)c3ccc(CC(C)C)cc3)nc3cccnc32)c1
InChIInChI=1S/C25H28N4O2S/c1-18(2)14-20-9-11-22(12-10-20)32(30,31)27-16-24-28-23-8-5-13-26-25(23)29(24)17-21-7-4-6-19(3)15-21/h4-13,15,18,27H,14,16-17H2,1-3H3
InChIKeyKBYSWHOFPWWCSM-UHFFFAOYSA-N
MW448.59 g/mol
LogP4.47
Rot. Bonds8

About N-[[3-[(3-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl]-4-(2-methylpropyl)benzenesulfonamide

N-[[3-[(3-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl]-4-(2-methylpropyl)benzenesulfonamide (PubChem CID 53020746) has the molecular formula C25H28N4O2S and a molecular weight of 448.59 g/mol. Its IUPAC name is N-[[3-[(3-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl]-4-(2-methylpropyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[[3-[(3-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl]-4-(2-methylpropyl)benzenesulfonamide
PubChem CID53020746
Molecular FormulaC25H28N4O2S
Molecular Weight448.59 g/mol
Exact Mass448.19
IUPAC NameN-[[3-[(3-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl]-4-(2-methylpropyl)benzenesulfonamide
SMILESCc1cccc(Cn2c(CNS(=O)(=O)c3ccc(CC(C)C)cc3)nc3cccnc32)c1
InChIInChI=1S/C25H28N4O2S/c1-18(2)14-20-9-11-22(12-10-20)32(30,31)27-16-24-28-23-8-5-13-26-25(23)29(24)17-21-7-4-6-19(3)15-21/h4-13,15,18,27H,14,16-17H2,1-3H3
InChIKeyKBYSWHOFPWWCSM-UHFFFAOYSA-N
XLogP4.47
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.59
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[3-[(3-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl]-4-(2-methylpropyl)benzenesulfonamide?
The IUPAC name of N-[[3-[(3-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl]-4-(2-methylpropyl)benzenesulfonamide (CID 53020746) is N-[[3-[(3-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl]-4-(2-methylpropyl)benzenesulfonamide.
What is the SMILES notation for N-[[3-[(3-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl]-4-(2-methylpropyl)benzenesulfonamide?
The canonical SMILES for N-[[3-[(3-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl]-4-(2-methylpropyl)benzenesulfonamide is Cc1cccc(Cn2c(CNS(=O)(=O)c3ccc(CC(C)C)cc3)nc3cccnc32)c1.
What is the InChIKey of N-[[3-[(3-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl]-4-(2-methylpropyl)benzenesulfonamide?
The InChIKey is KBYSWHOFPWWCSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O2S/c1-18(2)14-20-9-11-22(12-10-20)32(30,31)27-16-24-28-23-8-5-13-26-25(23)29(24)17-21-7-4-6-19(3)15-21/h4-13,15,18,27H,14,16-17H2,1-3H3.
What are the key properties of N-[[3-[(3-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl]-4-(2-methylpropyl)benzenesulfonamide?
N-[[3-[(3-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl]-4-(2-methylpropyl)benzenesulfonamide has a molecular weight of 448.59 g/mol, XLogP of 4.47, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(3-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl]-4-(2-methylpropyl)benzenesulfonamide is sourced from PubChem (CID 53020746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).