(E)-N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-quinolin-8-ylprop-2-enamide

C26H23N3O3S — CID 55510651

IUPAC(E)-N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-quinolin-8-ylprop-2-enamide
SMILESCN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=O)/C=C/c2cccc3cccnc23)cc1
InChIInChI=1S/C26H23N3O3S/c1-29(19-20-7-3-2-4-8-20)33(31,32)24-15-13-23(14-16-24)28-25(30)17-12-22-10-5-9-21-11-6-18-27-26(21)22/h2-18H,19H2,1H3,(H,28,30)/b17-12+
InChIKeyFQBUCTWBYYSETQ-SFQUDFHCSA-N
MW457.56 g/mol
LogP4.71
Rot. Bonds7

About (E)-N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-quinolin-8-ylprop-2-enamide

(E)-N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-quinolin-8-ylprop-2-enamide (PubChem CID 55510651) has the molecular formula C26H23N3O3S and a molecular weight of 457.56 g/mol. Its IUPAC name is (E)-N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-quinolin-8-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-quinolin-8-ylprop-2-enamide
PubChem CID55510651
Molecular FormulaC26H23N3O3S
Molecular Weight457.56 g/mol
Exact Mass457.15
IUPAC Name(E)-N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-quinolin-8-ylprop-2-enamide
SMILESCN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=O)/C=C/c2cccc3cccnc23)cc1
InChIInChI=1S/C26H23N3O3S/c1-29(19-20-7-3-2-4-8-20)33(31,32)24-15-13-23(14-16-24)28-25(30)17-12-22-10-5-9-21-11-6-18-27-26(21)22/h2-18H,19H2,1H3,(H,28,30)/b17-12+
InChIKeyFQBUCTWBYYSETQ-SFQUDFHCSA-N
XLogP4.71
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.56
LogP ≤ 54.71
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-[3-(dimethylsulfamoyl)phenyl]-3-quinolin-8-ylprop-2-enamide
CID 51333611
(E)-N-(4-fluorophenyl)-3-quinolin-8-ylprop-2-enamide
CID 24616881
(E)-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-3-quinolin-8-ylprop-2-enamide
CID 18152924
(E)-N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-(3-nitrophenyl)prop-2-enamide
CID 26253511
(E)-N-[3-(hydroxymethyl)phenyl]-3-quinolin-8-ylprop-2-enamide
CID 110883145
methyl 4-[[(E)-3-quinolin-8-ylprop-2-enoyl]amino]benzoate
CID 24623415
(E)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-quinolin-8-ylprop-2-enamide
CID 51333665
[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] (E)-3-quinolin-8-ylprop-2-enoate
CID 16607710
(E)-N-(4-methyl-3-sulfamoylphenyl)-3-quinolin-8-ylprop-2-enamide
CID 55510584
(E)-N'-(2-phenylacetyl)-3-quinolin-8-ylprop-2-enehydrazide
CID 24623966
(E)-N-(1,3-benzodioxol-5-yl)-3-quinolin-8-ylprop-2-enamide
CID 51333506
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-naphthalen-2-yloxyacetamide
CID 3417784

Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-quinolin-8-ylprop-2-enamide?
The IUPAC name of (E)-N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-quinolin-8-ylprop-2-enamide (CID 55510651) is (E)-N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-quinolin-8-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-quinolin-8-ylprop-2-enamide?
The canonical SMILES for (E)-N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-quinolin-8-ylprop-2-enamide is CN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=O)/C=C/c2cccc3cccnc23)cc1.
What is the InChIKey of (E)-N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-quinolin-8-ylprop-2-enamide?
The InChIKey is FQBUCTWBYYSETQ-SFQUDFHCSA-N. The full InChI is InChI=1S/C26H23N3O3S/c1-29(19-20-7-3-2-4-8-20)33(31,32)24-15-13-23(14-16-24)28-25(30)17-12-22-10-5-9-21-11-6-18-27-26(21)22/h2-18H,19H2,1H3,(H,28,30)/b17-12+.
What are the key properties of (E)-N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-quinolin-8-ylprop-2-enamide?
(E)-N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-quinolin-8-ylprop-2-enamide has a molecular weight of 457.56 g/mol, XLogP of 4.71, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-quinolin-8-ylprop-2-enamide is sourced from PubChem (CID 55510651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).