N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-3-(furan-2-yl)prop-2-enamide

C18H20N2O4S — CID 71960941

IUPACN-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-3-(furan-2-yl)prop-2-enamide
SMILESCCS(=O)(=O)N1CCCc2cc(NC(=O)C=Cc3ccco3)ccc21
InChIInChI=1S/C18H20N2O4S/c1-2-25(22,23)20-11-3-5-14-13-15(7-9-17(14)20)19-18(21)10-8-16-6-4-12-24-16/h4,6-10,12-13H,2-3,5,11H2,1H3,(H,19,21)
InChIKeyMJGYPYZRXZVVOZ-UHFFFAOYSA-N
MW360.44 g/mol
LogP3.03
Rot. Bonds5

About N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-3-(furan-2-yl)prop-2-enamide

N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-3-(furan-2-yl)prop-2-enamide (PubChem CID 71960941) has the molecular formula C18H20N2O4S and a molecular weight of 360.44 g/mol. Its IUPAC name is N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-3-(furan-2-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-3-(furan-2-yl)prop-2-enamide
PubChem CID71960941
Molecular FormulaC18H20N2O4S
Molecular Weight360.44 g/mol
Exact Mass360.11
IUPAC NameN-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-3-(furan-2-yl)prop-2-enamide
SMILESCCS(=O)(=O)N1CCCc2cc(NC(=O)C=Cc3ccco3)ccc21
InChIInChI=1S/C18H20N2O4S/c1-2-25(22,23)20-11-3-5-14-13-15(7-9-17(14)20)19-18(21)10-8-16-6-4-12-24-16/h4,6-10,12-13H,2-3,5,11H2,1H3,(H,19,21)
InChIKeyMJGYPYZRXZVVOZ-UHFFFAOYSA-N
XLogP3.03
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 53.03
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

1-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-3-(4-fluorophenyl)urea
CID 30374225
N-ethyl-6-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-2,3-dihydroindole-1-carboxamide
CID 75407752
[2-(1-ethylsulfonyl-2,3-dihydroindol-5-yl)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate
CID 7540300
N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-3-methylsulfonylpropanamide
CID 110623308
2-cyclopropyl-N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-phenylacetamide
CID 110623306
N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-3-fluorobenzamide
CID 27656132
N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-3,5-dimethoxybenzamide
CID 27656111
N-(1,3-dimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-5-yl)-3-(furan-2-yl)prop-2-enamide
CID 171130572
3-(furan-2-yl)-N-(1,2,3,4-tetrahydroquinolin-7-yl)prop-2-enamide;hydrochloride
CID 91942901
(Z)-3-(furan-2-yl)-N-[4-(propanoylamino)phenyl]prop-2-enamide
CID 2298592
N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-3-(4-methylphenyl)propanamide
CID 110303798
N-(furan-2-ylmethyl)-N'-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)oxamide
CID 7658164

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-3-(furan-2-yl)prop-2-enamide?
The IUPAC name of N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-3-(furan-2-yl)prop-2-enamide (CID 71960941) is N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-3-(furan-2-yl)prop-2-enamide.
What is the SMILES notation for N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-3-(furan-2-yl)prop-2-enamide?
The canonical SMILES for N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-3-(furan-2-yl)prop-2-enamide is CCS(=O)(=O)N1CCCc2cc(NC(=O)C=Cc3ccco3)ccc21.
What is the InChIKey of N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-3-(furan-2-yl)prop-2-enamide?
The InChIKey is MJGYPYZRXZVVOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4S/c1-2-25(22,23)20-11-3-5-14-13-15(7-9-17(14)20)19-18(21)10-8-16-6-4-12-24-16/h4,6-10,12-13H,2-3,5,11H2,1H3,(H,19,21).
What are the key properties of N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-3-(furan-2-yl)prop-2-enamide?
N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-3-(furan-2-yl)prop-2-enamide has a molecular weight of 360.44 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-3-(furan-2-yl)prop-2-enamide is sourced from PubChem (CID 71960941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).