(E)-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-3-quinolin-8-ylprop-2-enamide

C21H21N3O4S — CID 18152924

IUPAC(E)-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-3-quinolin-8-ylprop-2-enamide
SMILESCOc1ccc(NC(=O)/C=C/c2cccc3cccnc23)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C21H21N3O4S/c1-24(2)29(26,27)19-14-17(10-11-18(19)28-3)23-20(25)12-9-16-7-4-6-15-8-5-13-22-21(15)16/h4-14H,1-3H3,(H,23,25)/b12-9+
InChIKeyFGBDTJJAEGUQJN-FMIVXFBMSA-N
MW411.48 g/mol
LogP3.15
Rot. Bonds6

About (E)-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-3-quinolin-8-ylprop-2-enamide

(E)-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-3-quinolin-8-ylprop-2-enamide (PubChem CID 18152924) has the molecular formula C21H21N3O4S and a molecular weight of 411.48 g/mol. Its IUPAC name is (E)-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-3-quinolin-8-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-3-quinolin-8-ylprop-2-enamide
PubChem CID18152924
Molecular FormulaC21H21N3O4S
Molecular Weight411.48 g/mol
Exact Mass411.13
IUPAC Name(E)-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-3-quinolin-8-ylprop-2-enamide
SMILESCOc1ccc(NC(=O)/C=C/c2cccc3cccnc23)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C21H21N3O4S/c1-24(2)29(26,27)19-14-17(10-11-18(19)28-3)23-20(25)12-9-16-7-4-6-15-8-5-13-22-21(15)16/h4-14H,1-3H3,(H,23,25)/b12-9+
InChIKeyFGBDTJJAEGUQJN-FMIVXFBMSA-N
XLogP3.15
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.48
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-methyl-3-sulfamoylphenyl)-3-quinolin-8-ylprop-2-enamide
CID 55510584
(E)-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-3-(3-fluorophenyl)prop-2-enamide
CID 9106601
(E)-N-(1,3-benzodioxol-5-yl)-3-quinolin-8-ylprop-2-enamide
CID 51333506
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
(E)-N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-quinolin-8-ylprop-2-enamide
CID 55510651
(E)-N-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)-3-quinolin-8-ylprop-2-enamide
CID 24624057
(E)-N-(4-fluorophenyl)-3-quinolin-8-ylprop-2-enamide
CID 24616881
(E)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-3-(2,4,5-trimethylphenyl)prop-2-enamide
CID 38930479
N-methyl-3-[[(E)-3-quinolin-8-ylprop-2-enoyl]amino]benzamide
CID 51333826
(E)-N-(2-methyl-1,3-benzothiazol-6-yl)-3-quinolin-8-ylprop-2-enamide
CID 24623803

Frequently Asked Questions

What is the IUPAC name of (E)-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-3-quinolin-8-ylprop-2-enamide?
The IUPAC name of (E)-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-3-quinolin-8-ylprop-2-enamide (CID 18152924) is (E)-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-3-quinolin-8-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-3-quinolin-8-ylprop-2-enamide?
The canonical SMILES for (E)-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-3-quinolin-8-ylprop-2-enamide is COc1ccc(NC(=O)/C=C/c2cccc3cccnc23)cc1S(=O)(=O)N(C)C.
What is the InChIKey of (E)-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-3-quinolin-8-ylprop-2-enamide?
The InChIKey is FGBDTJJAEGUQJN-FMIVXFBMSA-N. The full InChI is InChI=1S/C21H21N3O4S/c1-24(2)29(26,27)19-14-17(10-11-18(19)28-3)23-20(25)12-9-16-7-4-6-15-8-5-13-22-21(15)16/h4-14H,1-3H3,(H,23,25)/b12-9+.
What are the key properties of (E)-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-3-quinolin-8-ylprop-2-enamide?
(E)-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-3-quinolin-8-ylprop-2-enamide has a molecular weight of 411.48 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-3-quinolin-8-ylprop-2-enamide is sourced from PubChem (CID 18152924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).