(E)-2-(4-methylphenyl)-N-(4-quinolin-8-yloxybut-2-ynyl)ethenesulfonamide

C22H20N2O3S — CID 90579978

IUPAC(E)-2-(4-methylphenyl)-N-(4-quinolin-8-yloxybut-2-ynyl)ethenesulfonamide
SMILESCc1ccc(/C=C/S(=O)(=O)NCC#CCOc2cccc3cccnc23)cc1
InChIInChI=1S/C22H20N2O3S/c1-18-9-11-19(12-10-18)13-17-28(25,26)24-15-2-3-16-27-21-8-4-6-20-7-5-14-23-22(20)21/h4-14,17,24H,15-16H2,1H3/b17-13+
InChIKeyUAWAWEYOXWEEOC-GHRIWEEISA-N
MW392.48 g/mol
LogP3.52
Rot. Bonds6

About (E)-2-(4-methylphenyl)-N-(4-quinolin-8-yloxybut-2-ynyl)ethenesulfonamide

(E)-2-(4-methylphenyl)-N-(4-quinolin-8-yloxybut-2-ynyl)ethenesulfonamide (PubChem CID 90579978) has the molecular formula C22H20N2O3S and a molecular weight of 392.48 g/mol. Its IUPAC name is (E)-2-(4-methylphenyl)-N-(4-quinolin-8-yloxybut-2-ynyl)ethenesulfonamide.

Molecular Properties

Compound Name(E)-2-(4-methylphenyl)-N-(4-quinolin-8-yloxybut-2-ynyl)ethenesulfonamide
PubChem CID90579978
Molecular FormulaC22H20N2O3S
Molecular Weight392.48 g/mol
Exact Mass392.12
IUPAC Name(E)-2-(4-methylphenyl)-N-(4-quinolin-8-yloxybut-2-ynyl)ethenesulfonamide
SMILESCc1ccc(/C=C/S(=O)(=O)NCC#CCOc2cccc3cccnc23)cc1
InChIInChI=1S/C22H20N2O3S/c1-18-9-11-19(12-10-18)13-17-28(25,26)24-15-2-3-16-27-21-8-4-6-20-7-5-14-23-22(20)21/h4-14,17,24H,15-16H2,1H3/b17-13+
InChIKeyUAWAWEYOXWEEOC-GHRIWEEISA-N
XLogP3.52
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[4-(2-methoxyphenoxy)but-2-ynyl]-2-(4-methylphenyl)ethenesulfonamide
CID 90575760
3,5-dimethyl-N-(4-quinolin-8-yloxybut-2-ynyl)-1,2-oxazole-4-sulfonamide
CID 90579937
2-fluoro-N-(4-quinolin-8-yloxybut-2-ynyl)benzenesulfonamide
CID 90579949
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
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-quinolin-8-yloxybut-2-ynyl)-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
CID 90579988
N-[4-(2-methoxyphenoxy)but-2-ynyl]quinoline-8-sulfonamide
CID 71802969
N-(4-quinolin-8-yloxybut-2-ynyl)pentanamide
CID 90579647
2-chloro-N-(4-quinolin-8-yloxybut-2-ynyl)benzamide
CID 90579697
2-(4-fluorophenyl)-N-(4-quinolin-8-yloxybut-2-ynyl)acetamide
CID 90579752

Frequently Asked Questions

What is the IUPAC name of (E)-2-(4-methylphenyl)-N-(4-quinolin-8-yloxybut-2-ynyl)ethenesulfonamide?
The IUPAC name of (E)-2-(4-methylphenyl)-N-(4-quinolin-8-yloxybut-2-ynyl)ethenesulfonamide (CID 90579978) is (E)-2-(4-methylphenyl)-N-(4-quinolin-8-yloxybut-2-ynyl)ethenesulfonamide.
What is the SMILES notation for (E)-2-(4-methylphenyl)-N-(4-quinolin-8-yloxybut-2-ynyl)ethenesulfonamide?
The canonical SMILES for (E)-2-(4-methylphenyl)-N-(4-quinolin-8-yloxybut-2-ynyl)ethenesulfonamide is Cc1ccc(/C=C/S(=O)(=O)NCC#CCOc2cccc3cccnc23)cc1.
What is the InChIKey of (E)-2-(4-methylphenyl)-N-(4-quinolin-8-yloxybut-2-ynyl)ethenesulfonamide?
The InChIKey is UAWAWEYOXWEEOC-GHRIWEEISA-N. The full InChI is InChI=1S/C22H20N2O3S/c1-18-9-11-19(12-10-18)13-17-28(25,26)24-15-2-3-16-27-21-8-4-6-20-7-5-14-23-22(20)21/h4-14,17,24H,15-16H2,1H3/b17-13+.
What are the key properties of (E)-2-(4-methylphenyl)-N-(4-quinolin-8-yloxybut-2-ynyl)ethenesulfonamide?
(E)-2-(4-methylphenyl)-N-(4-quinolin-8-yloxybut-2-ynyl)ethenesulfonamide has a molecular weight of 392.48 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(4-methylphenyl)-N-(4-quinolin-8-yloxybut-2-ynyl)ethenesulfonamide is sourced from PubChem (CID 90579978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).