N-(1-ethoxypent-4-en-2-yl)-4-[(2-methylimidazo[4,5-c]pyridin-3-yl)methyl]benzenesulfonamide

C21H26N4O3S — CID 19800892

IUPACN-(1-ethoxypent-4-en-2-yl)-4-[(2-methylimidazo[4,5-c]pyridin-3-yl)methyl]benzenesulfonamide
SMILESC=CCC(COCC)NS(=O)(=O)c1ccc(Cn2c(C)nc3ccncc32)cc1
InChIInChI=1S/C21H26N4O3S/c1-4-6-18(15-28-5-2)24-29(26,27)19-9-7-17(8-10-19)14-25-16(3)23-20-11-12-22-13-21(20)25/h4,7-13,18,24H,1,5-6,14-15H2,2-3H3
InChIKeyIEWFPFZOXGSCRO-UHFFFAOYSA-N
MW414.53 g/mol
LogP3.05
Rot. Bonds10

About N-(1-ethoxypent-4-en-2-yl)-4-[(2-methylimidazo[4,5-c]pyridin-3-yl)methyl]benzenesulfonamide

N-(1-ethoxypent-4-en-2-yl)-4-[(2-methylimidazo[4,5-c]pyridin-3-yl)methyl]benzenesulfonamide (PubChem CID 19800892) has the molecular formula C21H26N4O3S and a molecular weight of 414.53 g/mol. Its IUPAC name is N-(1-ethoxypent-4-en-2-yl)-4-[(2-methylimidazo[4,5-c]pyridin-3-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(1-ethoxypent-4-en-2-yl)-4-[(2-methylimidazo[4,5-c]pyridin-3-yl)methyl]benzenesulfonamide
PubChem CID19800892
Molecular FormulaC21H26N4O3S
Molecular Weight414.53 g/mol
Exact Mass414.17
IUPAC NameN-(1-ethoxypent-4-en-2-yl)-4-[(2-methylimidazo[4,5-c]pyridin-3-yl)methyl]benzenesulfonamide
SMILESC=CCC(COCC)NS(=O)(=O)c1ccc(Cn2c(C)nc3ccncc32)cc1
InChIInChI=1S/C21H26N4O3S/c1-4-6-18(15-28-5-2)24-29(26,27)19-9-7-17(8-10-19)14-25-16(3)23-20-11-12-22-13-21(20)25/h4,7-13,18,24H,1,5-6,14-15H2,2-3H3
InChIKeyIEWFPFZOXGSCRO-UHFFFAOYSA-N
XLogP3.05
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.53
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-(1-ethoxypent-4-en-2-yl)-4-[(2-methylimidazo[4,5-c]pyridin-3-yl)methyl]benzenesulfonamide 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-(1-ethoxypent-4-en-2-yl)-4-[(2-methylimidazo[4,5-c]pyridin-3-yl)methyl]benzenesulfonamide?
The IUPAC name of N-(1-ethoxypent-4-en-2-yl)-4-[(2-methylimidazo[4,5-c]pyridin-3-yl)methyl]benzenesulfonamide (CID 19800892) is N-(1-ethoxypent-4-en-2-yl)-4-[(2-methylimidazo[4,5-c]pyridin-3-yl)methyl]benzenesulfonamide.
What is the SMILES notation for N-(1-ethoxypent-4-en-2-yl)-4-[(2-methylimidazo[4,5-c]pyridin-3-yl)methyl]benzenesulfonamide?
The canonical SMILES for N-(1-ethoxypent-4-en-2-yl)-4-[(2-methylimidazo[4,5-c]pyridin-3-yl)methyl]benzenesulfonamide is C=CCC(COCC)NS(=O)(=O)c1ccc(Cn2c(C)nc3ccncc32)cc1.
What is the InChIKey of N-(1-ethoxypent-4-en-2-yl)-4-[(2-methylimidazo[4,5-c]pyridin-3-yl)methyl]benzenesulfonamide?
The InChIKey is IEWFPFZOXGSCRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3S/c1-4-6-18(15-28-5-2)24-29(26,27)19-9-7-17(8-10-19)14-25-16(3)23-20-11-12-22-13-21(20)25/h4,7-13,18,24H,1,5-6,14-15H2,2-3H3.
What are the key properties of N-(1-ethoxypent-4-en-2-yl)-4-[(2-methylimidazo[4,5-c]pyridin-3-yl)methyl]benzenesulfonamide?
N-(1-ethoxypent-4-en-2-yl)-4-[(2-methylimidazo[4,5-c]pyridin-3-yl)methyl]benzenesulfonamide has a molecular weight of 414.53 g/mol, XLogP of 3.05, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethoxypent-4-en-2-yl)-4-[(2-methylimidazo[4,5-c]pyridin-3-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 19800892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).