N-[1-(ethoxymethoxy)-4-methylpentan-2-yl]-4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzenesulfonamide

C23H32N4O4S — CID 67626297

IUPACN-[1-(ethoxymethoxy)-4-methylpentan-2-yl]-4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzenesulfonamide
SMILESCCOCOCC(CC(C)C)NS(=O)(=O)c1ccc(Cn2c(C)nc3cnccc32)cc1
InChIInChI=1S/C23H32N4O4S/c1-5-30-16-31-15-20(12-17(2)3)26-32(28,29)21-8-6-19(7-9-21)14-27-18(4)25-22-13-24-11-10-23(22)27/h6-11,13,17,20,26H,5,12,14-16H2,1-4H3
InChIKeyABEMYVFTCLJQTD-UHFFFAOYSA-N
MW460.60 g/mol
LogP3.49
Rot. Bonds12

About N-[1-(ethoxymethoxy)-4-methylpentan-2-yl]-4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzenesulfonamide

N-[1-(ethoxymethoxy)-4-methylpentan-2-yl]-4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzenesulfonamide (PubChem CID 67626297) has the molecular formula C23H32N4O4S and a molecular weight of 460.60 g/mol. Its IUPAC name is N-[1-(ethoxymethoxy)-4-methylpentan-2-yl]-4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[1-(ethoxymethoxy)-4-methylpentan-2-yl]-4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzenesulfonamide
PubChem CID67626297
Molecular FormulaC23H32N4O4S
Molecular Weight460.60 g/mol
Exact Mass460.21
IUPAC NameN-[1-(ethoxymethoxy)-4-methylpentan-2-yl]-4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzenesulfonamide
SMILESCCOCOCC(CC(C)C)NS(=O)(=O)c1ccc(Cn2c(C)nc3cnccc32)cc1
InChIInChI=1S/C23H32N4O4S/c1-5-30-16-31-15-20(12-17(2)3)26-32(28,29)21-8-6-19(7-9-21)14-27-18(4)25-22-13-24-11-10-23(22)27/h6-11,13,17,20,26H,5,12,14-16H2,1-4H3
InChIKeyABEMYVFTCLJQTD-UHFFFAOYSA-N
XLogP3.49
TPSA95.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.60
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-(ethoxymethoxy)-4-methylpentan-2-yl]-4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzenesulfonamide?
The IUPAC name of N-[1-(ethoxymethoxy)-4-methylpentan-2-yl]-4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzenesulfonamide (CID 67626297) is N-[1-(ethoxymethoxy)-4-methylpentan-2-yl]-4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzenesulfonamide.
What is the SMILES notation for N-[1-(ethoxymethoxy)-4-methylpentan-2-yl]-4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzenesulfonamide?
The canonical SMILES for N-[1-(ethoxymethoxy)-4-methylpentan-2-yl]-4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzenesulfonamide is CCOCOCC(CC(C)C)NS(=O)(=O)c1ccc(Cn2c(C)nc3cnccc32)cc1.
What is the InChIKey of N-[1-(ethoxymethoxy)-4-methylpentan-2-yl]-4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzenesulfonamide?
The InChIKey is ABEMYVFTCLJQTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O4S/c1-5-30-16-31-15-20(12-17(2)3)26-32(28,29)21-8-6-19(7-9-21)14-27-18(4)25-22-13-24-11-10-23(22)27/h6-11,13,17,20,26H,5,12,14-16H2,1-4H3.
What are the key properties of N-[1-(ethoxymethoxy)-4-methylpentan-2-yl]-4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzenesulfonamide?
N-[1-(ethoxymethoxy)-4-methylpentan-2-yl]-4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzenesulfonamide has a molecular weight of 460.60 g/mol, XLogP of 3.49, 12 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(ethoxymethoxy)-4-methylpentan-2-yl]-4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 67626297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).