N-[3-(diethylsulfamoyl)-4-methylphenyl]-3-quinoxalin-2-ylprop-2-enamide

C22H24N4O3S — CID 3371220

IUPACN-[3-(diethylsulfamoyl)-4-methylphenyl]-3-quinoxalin-2-ylprop-2-enamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)C=Cc2cnc3ccccc3n2)ccc1C
InChIInChI=1S/C22H24N4O3S/c1-4-26(5-2)30(28,29)21-14-17(11-10-16(21)3)25-22(27)13-12-18-15-23-19-8-6-7-9-20(19)24-18/h6-15H,4-5H2,1-3H3,(H,25,27)
InChIKeyUBPVIVZDNJHCHI-UHFFFAOYSA-N
MW424.53 g/mol
LogP3.62
Rot. Bonds7

About N-[3-(diethylsulfamoyl)-4-methylphenyl]-3-quinoxalin-2-ylprop-2-enamide

N-[3-(diethylsulfamoyl)-4-methylphenyl]-3-quinoxalin-2-ylprop-2-enamide (PubChem CID 3371220) has the molecular formula C22H24N4O3S and a molecular weight of 424.53 g/mol. Its IUPAC name is N-[3-(diethylsulfamoyl)-4-methylphenyl]-3-quinoxalin-2-ylprop-2-enamide.

Molecular Properties

Compound NameN-[3-(diethylsulfamoyl)-4-methylphenyl]-3-quinoxalin-2-ylprop-2-enamide
PubChem CID3371220
Molecular FormulaC22H24N4O3S
Molecular Weight424.53 g/mol
Exact Mass424.16
IUPAC NameN-[3-(diethylsulfamoyl)-4-methylphenyl]-3-quinoxalin-2-ylprop-2-enamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)C=Cc2cnc3ccccc3n2)ccc1C
InChIInChI=1S/C22H24N4O3S/c1-4-26(5-2)30(28,29)21-14-17(11-10-16(21)3)25-22(27)13-12-18-15-23-19-8-6-7-9-20(19)24-18/h6-15H,4-5H2,1-3H3,(H,25,27)
InChIKeyUBPVIVZDNJHCHI-UHFFFAOYSA-N
XLogP3.62
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.53
LogP ≤ 53.62
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)-3-(4-acetamidophenyl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]prop-2-enamide
CID 31253612
(E)-3-(2-cyanophenyl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]prop-2-enamide
CID 55464461
(E)-N-(3-hydroxyphenyl)-3-quinoxalin-2-ylprop-2-enamide
CID 78783120
(E)-N-(3-chlorophenyl)-3-quinoxalin-2-ylprop-2-enamide
CID 26086334
(E)-N-(3-chloro-4-fluorophenyl)-3-quinoxalin-2-ylprop-2-enamide
CID 26695967
N-(4-chloro-3-fluorophenyl)-3-quinoxalin-2-ylprop-2-enamide
CID 76884248
(E)-N-propyl-3-quinoxalin-2-ylprop-2-enamide
CID 29292325
(E)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-3-(3-fluoro-4-methoxyphenyl)prop-2-enamide
CID 18200405
[2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl] (E)-3-(1,3-benzothiazol-2-yl)prop-2-enoate
CID 16543978
N-[3-(diethylsulfamoyl)-4-methylphenyl]naphthalene-2-carboxamide
CID 18285223
(E)-N-(2-methylbutan-2-yl)-3-quinoxalin-2-ylprop-2-enamide
CID 2447060
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-methylsulfanylbenzamide
CID 26521121

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylsulfamoyl)-4-methylphenyl]-3-quinoxalin-2-ylprop-2-enamide?
The IUPAC name of N-[3-(diethylsulfamoyl)-4-methylphenyl]-3-quinoxalin-2-ylprop-2-enamide (CID 3371220) is N-[3-(diethylsulfamoyl)-4-methylphenyl]-3-quinoxalin-2-ylprop-2-enamide.
What is the SMILES notation for N-[3-(diethylsulfamoyl)-4-methylphenyl]-3-quinoxalin-2-ylprop-2-enamide?
The canonical SMILES for N-[3-(diethylsulfamoyl)-4-methylphenyl]-3-quinoxalin-2-ylprop-2-enamide is CCN(CC)S(=O)(=O)c1cc(NC(=O)C=Cc2cnc3ccccc3n2)ccc1C.
What is the InChIKey of N-[3-(diethylsulfamoyl)-4-methylphenyl]-3-quinoxalin-2-ylprop-2-enamide?
The InChIKey is UBPVIVZDNJHCHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3S/c1-4-26(5-2)30(28,29)21-14-17(11-10-16(21)3)25-22(27)13-12-18-15-23-19-8-6-7-9-20(19)24-18/h6-15H,4-5H2,1-3H3,(H,25,27).
What are the key properties of N-[3-(diethylsulfamoyl)-4-methylphenyl]-3-quinoxalin-2-ylprop-2-enamide?
N-[3-(diethylsulfamoyl)-4-methylphenyl]-3-quinoxalin-2-ylprop-2-enamide has a molecular weight of 424.53 g/mol, XLogP of 3.62, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylsulfamoyl)-4-methylphenyl]-3-quinoxalin-2-ylprop-2-enamide is sourced from PubChem (CID 3371220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).