(E)-N-(4-methyl-3-sulfamoylphenyl)-3-quinolin-8-ylprop-2-enamide

C19H17N3O3S — CID 55510584

IUPAC(E)-N-(4-methyl-3-sulfamoylphenyl)-3-quinolin-8-ylprop-2-enamide
SMILESCc1ccc(NC(=O)/C=C/c2cccc3cccnc23)cc1S(N)(=O)=O
InChIInChI=1S/C19H17N3O3S/c1-13-7-9-16(12-17(13)26(20,24)25)22-18(23)10-8-15-5-2-4-14-6-3-11-21-19(14)15/h2-12H,1H3,(H,22,23)(H2,20,24,25)/b10-8+
InChIKeyBTGZVEFMDZNQLP-CSKARUKUSA-N
MW367.43 g/mol
LogP2.84
Rot. Bonds4

About (E)-N-(4-methyl-3-sulfamoylphenyl)-3-quinolin-8-ylprop-2-enamide

(E)-N-(4-methyl-3-sulfamoylphenyl)-3-quinolin-8-ylprop-2-enamide (PubChem CID 55510584) has the molecular formula C19H17N3O3S and a molecular weight of 367.43 g/mol. Its IUPAC name is (E)-N-(4-methyl-3-sulfamoylphenyl)-3-quinolin-8-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(4-methyl-3-sulfamoylphenyl)-3-quinolin-8-ylprop-2-enamide
PubChem CID55510584
Molecular FormulaC19H17N3O3S
Molecular Weight367.43 g/mol
Exact Mass367.10
IUPAC Name(E)-N-(4-methyl-3-sulfamoylphenyl)-3-quinolin-8-ylprop-2-enamide
SMILESCc1ccc(NC(=O)/C=C/c2cccc3cccnc23)cc1S(N)(=O)=O
InChIInChI=1S/C19H17N3O3S/c1-13-7-9-16(12-17(13)26(20,24)25)22-18(23)10-8-15-5-2-4-14-6-3-11-21-19(14)15/h2-12H,1H3,(H,22,23)(H2,20,24,25)/b10-8+
InChIKeyBTGZVEFMDZNQLP-CSKARUKUSA-N
XLogP2.84
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 52.84
H-Bond Donors ≤ 52
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)-4-methoxyphenyl]-3-quinolin-8-ylprop-2-enamide
CID 18152924
(E)-3-(2,3-dichlorophenyl)-N-(4-methyl-3-sulfamoylphenyl)prop-2-enamide
CID 9141161
(E)-N-[3-(dimethylsulfamoyl)phenyl]-3-quinolin-8-ylprop-2-enamide
CID 51333611
(E)-N-(2-methyl-1,3-benzothiazol-6-yl)-3-quinolin-8-ylprop-2-enamide
CID 24623803
methyl 4-[[(E)-3-quinolin-8-ylprop-2-enoyl]amino]benzoate
CID 24623415
(E)-N-(4-fluorophenyl)-3-quinolin-8-ylprop-2-enamide
CID 24616881
N-methyl-3-[[(E)-3-quinolin-8-ylprop-2-enoyl]amino]benzamide
CID 51333826
(E)-3-(2,3-dimethoxyphenyl)-N-(4-methyl-3-sulfamoylphenyl)prop-2-enamide
CID 9140940
(E)-N-(1,3-benzodioxol-5-yl)-3-quinolin-8-ylprop-2-enamide
CID 51333506
(E)-N-[3-(hydroxymethyl)phenyl]-3-quinolin-8-ylprop-2-enamide
CID 110883145
(E)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-quinolin-8-ylprop-2-enamide
CID 51333665
(E)-N-(4-methyl-3-sulfamoylphenyl)-3-(2-nitrophenyl)prop-2-enamide
CID 43019548

Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-methyl-3-sulfamoylphenyl)-3-quinolin-8-ylprop-2-enamide?
The IUPAC name of (E)-N-(4-methyl-3-sulfamoylphenyl)-3-quinolin-8-ylprop-2-enamide (CID 55510584) is (E)-N-(4-methyl-3-sulfamoylphenyl)-3-quinolin-8-ylprop-2-enamide.
What is the SMILES notation for (E)-N-(4-methyl-3-sulfamoylphenyl)-3-quinolin-8-ylprop-2-enamide?
The canonical SMILES for (E)-N-(4-methyl-3-sulfamoylphenyl)-3-quinolin-8-ylprop-2-enamide is Cc1ccc(NC(=O)/C=C/c2cccc3cccnc23)cc1S(N)(=O)=O.
What is the InChIKey of (E)-N-(4-methyl-3-sulfamoylphenyl)-3-quinolin-8-ylprop-2-enamide?
The InChIKey is BTGZVEFMDZNQLP-CSKARUKUSA-N. The full InChI is InChI=1S/C19H17N3O3S/c1-13-7-9-16(12-17(13)26(20,24)25)22-18(23)10-8-15-5-2-4-14-6-3-11-21-19(14)15/h2-12H,1H3,(H,22,23)(H2,20,24,25)/b10-8+.
What are the key properties of (E)-N-(4-methyl-3-sulfamoylphenyl)-3-quinolin-8-ylprop-2-enamide?
(E)-N-(4-methyl-3-sulfamoylphenyl)-3-quinolin-8-ylprop-2-enamide has a molecular weight of 367.43 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-methyl-3-sulfamoylphenyl)-3-quinolin-8-ylprop-2-enamide is sourced from PubChem (CID 55510584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).