N-[4-(2-methoxyphenoxy)but-2-ynyl]quinoline-8-sulfonamide

C20H18N2O4S — CID 71802969

IUPACN-[4-(2-methoxyphenoxy)but-2-ynyl]quinoline-8-sulfonamide
SMILESCOc1ccccc1OCC#CCNS(=O)(=O)c1cccc2cccnc12
InChIInChI=1S/C20H18N2O4S/c1-25-17-10-2-3-11-18(17)26-15-5-4-14-22-27(23,24)19-12-6-8-16-9-7-13-21-20(16)19/h2-3,6-13,22H,14-15H2,1H3
InChIKeyFRKUEBJGOFFZQQ-UHFFFAOYSA-N
MW382.44 g/mol
LogP2.60
Rot. Bonds6

About N-[4-(2-methoxyphenoxy)but-2-ynyl]quinoline-8-sulfonamide

N-[4-(2-methoxyphenoxy)but-2-ynyl]quinoline-8-sulfonamide (PubChem CID 71802969) has the molecular formula C20H18N2O4S and a molecular weight of 382.44 g/mol. Its IUPAC name is N-[4-(2-methoxyphenoxy)but-2-ynyl]quinoline-8-sulfonamide.

Molecular Properties

Compound NameN-[4-(2-methoxyphenoxy)but-2-ynyl]quinoline-8-sulfonamide
PubChem CID71802969
Molecular FormulaC20H18N2O4S
Molecular Weight382.44 g/mol
Exact Mass382.10
IUPAC NameN-[4-(2-methoxyphenoxy)but-2-ynyl]quinoline-8-sulfonamide
SMILESCOc1ccccc1OCC#CCNS(=O)(=O)c1cccc2cccnc12
InChIInChI=1S/C20H18N2O4S/c1-25-17-10-2-3-11-18(17)26-15-5-4-14-22-27(23,24)19-12-6-8-16-9-7-13-21-20(16)19/h2-3,6-13,22H,14-15H2,1H3
InChIKeyFRKUEBJGOFFZQQ-UHFFFAOYSA-N
XLogP2.60
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[4-(2-methoxyphenoxy)but-2-ynyl]quinoline-8-sulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

2-fluoro-N-(4-quinolin-8-yloxybut-2-ynyl)benzenesulfonamide
CID 90579949
2-fluoro-N-[4-(2-methoxyphenoxy)but-2-ynyl]benzenesulfonamide
CID 71802972
N-[4-(2-methoxyphenoxy)but-2-ynyl]pyridine-3-sulfonamide
CID 71802961
2,4-dichloro-5-methyl-N-(4-quinolin-8-yloxybut-2-ynyl)benzenesulfonamide
CID 90579967
methyl 4-(4-quinolin-8-yloxybut-2-ynylsulfamoyl)benzoate
CID 90579979
2-methoxy-N-(4-pyridin-3-yloxybut-2-ynyl)benzenesulfonamide
CID 90579141
2-methoxy-N-[4-(2-methylphenoxy)but-2-ynyl]benzenesulfonamide
CID 90575454
4-methoxy-N-[4-(2-methoxyphenoxy)but-2-ynyl]benzenesulfonamide
CID 90575717
(2-methoxyphenyl) quinoline-8-sulfonate
CID 15944591
N-(4-quinolin-8-yloxybut-2-ynyl)-4-(trifluoromethyl)benzenesulfonamide
CID 90579964
4-nitro-N-(4-quinolin-8-yloxybut-2-ynyl)benzenesulfonamide
CID 90579918
N-[4-(2-methoxyphenoxy)but-2-ynyl]ethanesulfonamide
CID 90575710

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methoxyphenoxy)but-2-ynyl]quinoline-8-sulfonamide?
The IUPAC name of N-[4-(2-methoxyphenoxy)but-2-ynyl]quinoline-8-sulfonamide (CID 71802969) is N-[4-(2-methoxyphenoxy)but-2-ynyl]quinoline-8-sulfonamide.
What is the SMILES notation for N-[4-(2-methoxyphenoxy)but-2-ynyl]quinoline-8-sulfonamide?
The canonical SMILES for N-[4-(2-methoxyphenoxy)but-2-ynyl]quinoline-8-sulfonamide is COc1ccccc1OCC#CCNS(=O)(=O)c1cccc2cccnc12.
What is the InChIKey of N-[4-(2-methoxyphenoxy)but-2-ynyl]quinoline-8-sulfonamide?
The InChIKey is FRKUEBJGOFFZQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O4S/c1-25-17-10-2-3-11-18(17)26-15-5-4-14-22-27(23,24)19-12-6-8-16-9-7-13-21-20(16)19/h2-3,6-13,22H,14-15H2,1H3.
What are the key properties of N-[4-(2-methoxyphenoxy)but-2-ynyl]quinoline-8-sulfonamide?
N-[4-(2-methoxyphenoxy)but-2-ynyl]quinoline-8-sulfonamide has a molecular weight of 382.44 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methoxyphenoxy)but-2-ynyl]quinoline-8-sulfonamide is sourced from PubChem (CID 71802969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).