(E)-N-[3-(dimethylsulfamoyl)phenyl]-3-quinolin-8-ylprop-2-enamide

C20H19N3O3S — CID 51333611

IUPAC(E)-N-[3-(dimethylsulfamoyl)phenyl]-3-quinolin-8-ylprop-2-enamide
SMILESCN(C)S(=O)(=O)c1cccc(NC(=O)/C=C/c2cccc3cccnc23)c1
InChIInChI=1S/C20H19N3O3S/c1-23(2)27(25,26)18-10-4-9-17(14-18)22-19(24)12-11-16-7-3-6-15-8-5-13-21-20(15)16/h3-14H,1-2H3,(H,22,24)/b12-11+
InChIKeyAKZWOXHQWHNSAI-VAWYXSNFSA-N
MW381.46 g/mol
LogP3.14
Rot. Bonds5

About (E)-N-[3-(dimethylsulfamoyl)phenyl]-3-quinolin-8-ylprop-2-enamide

(E)-N-[3-(dimethylsulfamoyl)phenyl]-3-quinolin-8-ylprop-2-enamide (PubChem CID 51333611) has the molecular formula C20H19N3O3S and a molecular weight of 381.46 g/mol. Its IUPAC name is (E)-N-[3-(dimethylsulfamoyl)phenyl]-3-quinolin-8-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[3-(dimethylsulfamoyl)phenyl]-3-quinolin-8-ylprop-2-enamide
PubChem CID51333611
Molecular FormulaC20H19N3O3S
Molecular Weight381.46 g/mol
Exact Mass381.11
IUPAC Name(E)-N-[3-(dimethylsulfamoyl)phenyl]-3-quinolin-8-ylprop-2-enamide
SMILESCN(C)S(=O)(=O)c1cccc(NC(=O)/C=C/c2cccc3cccnc23)c1
InChIInChI=1S/C20H19N3O3S/c1-23(2)27(25,26)18-10-4-9-17(14-18)22-19(24)12-11-16-7-3-6-15-8-5-13-21-20(15)16/h3-14H,1-2H3,(H,22,24)/b12-11+
InChIKeyAKZWOXHQWHNSAI-VAWYXSNFSA-N
XLogP3.14
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-quinolin-8-ylprop-2-enamide
CID 51333665
(E)-N-[3-(dimethylsulfamoyl)phenyl]-3-naphthalen-1-ylprop-2-enamide
CID 55485816
(E)-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-3-quinolin-8-ylprop-2-enamide
CID 18152924
N-methyl-3-[[(E)-3-quinolin-8-ylprop-2-enoyl]amino]benzamide
CID 51333826
(E)-N-[3-[(E)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-3-quinolin-8-ylprop-2-enamide
CID 60530655
(E)-N-(4-methyl-3-sulfamoylphenyl)-3-quinolin-8-ylprop-2-enamide
CID 55510584
(E)-N-[3-(hydroxymethyl)phenyl]-3-quinolin-8-ylprop-2-enamide
CID 110883145
(E)-N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-quinolin-8-ylprop-2-enamide
CID 55510651
N-ethyl-3-[[(E)-3-quinolin-8-ylprop-2-enoyl]amino]benzamide
CID 18152898
(E)-3-(2,6-dichlorophenyl)-N-[3-(dimethylsulfamoyl)phenyl]prop-2-enamide
CID 8961643
(E)-N-(1,3-benzodioxol-5-yl)-3-quinolin-8-ylprop-2-enamide
CID 51333506
N,N-diethyl-3-[[[(E)-3-quinolin-8-ylprop-2-enoyl]amino]carbamoyl]benzenesulfonamide
CID 24623463

Frequently Asked Questions

What is the IUPAC name of (E)-N-[3-(dimethylsulfamoyl)phenyl]-3-quinolin-8-ylprop-2-enamide?
The IUPAC name of (E)-N-[3-(dimethylsulfamoyl)phenyl]-3-quinolin-8-ylprop-2-enamide (CID 51333611) is (E)-N-[3-(dimethylsulfamoyl)phenyl]-3-quinolin-8-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[3-(dimethylsulfamoyl)phenyl]-3-quinolin-8-ylprop-2-enamide?
The canonical SMILES for (E)-N-[3-(dimethylsulfamoyl)phenyl]-3-quinolin-8-ylprop-2-enamide is CN(C)S(=O)(=O)c1cccc(NC(=O)/C=C/c2cccc3cccnc23)c1.
What is the InChIKey of (E)-N-[3-(dimethylsulfamoyl)phenyl]-3-quinolin-8-ylprop-2-enamide?
The InChIKey is AKZWOXHQWHNSAI-VAWYXSNFSA-N. The full InChI is InChI=1S/C20H19N3O3S/c1-23(2)27(25,26)18-10-4-9-17(14-18)22-19(24)12-11-16-7-3-6-15-8-5-13-21-20(15)16/h3-14H,1-2H3,(H,22,24)/b12-11+.
What are the key properties of (E)-N-[3-(dimethylsulfamoyl)phenyl]-3-quinolin-8-ylprop-2-enamide?
(E)-N-[3-(dimethylsulfamoyl)phenyl]-3-quinolin-8-ylprop-2-enamide has a molecular weight of 381.46 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[3-(dimethylsulfamoyl)phenyl]-3-quinolin-8-ylprop-2-enamide is sourced from PubChem (CID 51333611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).