3-[4-(diethylsulfamoyl)phenyl]-N-(2-methylquinolin-8-yl)prop-2-enamide

C23H25N3O3S — CID 72685102

IUPAC3-[4-(diethylsulfamoyl)phenyl]-N-(2-methylquinolin-8-yl)prop-2-enamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C=CC(=O)Nc2cccc3ccc(C)nc23)cc1
InChIInChI=1S/C23H25N3O3S/c1-4-26(5-2)30(28,29)20-14-10-18(11-15-20)12-16-22(27)25-21-8-6-7-19-13-9-17(3)24-23(19)21/h6-16H,4-5H2,1-3H3,(H,25,27)
InChIKeySVLCUQAWFUDZQJ-UHFFFAOYSA-N
MW423.54 g/mol
LogP4.23
Rot. Bonds7

About 3-[4-(diethylsulfamoyl)phenyl]-N-(2-methylquinolin-8-yl)prop-2-enamide

3-[4-(diethylsulfamoyl)phenyl]-N-(2-methylquinolin-8-yl)prop-2-enamide (PubChem CID 72685102) has the molecular formula C23H25N3O3S and a molecular weight of 423.54 g/mol. Its IUPAC name is 3-[4-(diethylsulfamoyl)phenyl]-N-(2-methylquinolin-8-yl)prop-2-enamide.

Molecular Properties

Compound Name3-[4-(diethylsulfamoyl)phenyl]-N-(2-methylquinolin-8-yl)prop-2-enamide
PubChem CID72685102
Molecular FormulaC23H25N3O3S
Molecular Weight423.54 g/mol
Exact Mass423.16
IUPAC Name3-[4-(diethylsulfamoyl)phenyl]-N-(2-methylquinolin-8-yl)prop-2-enamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C=CC(=O)Nc2cccc3ccc(C)nc23)cc1
InChIInChI=1S/C23H25N3O3S/c1-4-26(5-2)30(28,29)20-14-10-18(11-15-20)12-16-22(27)25-21-8-6-7-19-13-9-17(3)24-23(19)21/h6-16H,4-5H2,1-3H3,(H,25,27)
InChIKeySVLCUQAWFUDZQJ-UHFFFAOYSA-N
XLogP4.23
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.54
LogP ≤ 54.23
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

3-(4-fluorophenyl)-N-(2-methylquinolin-8-yl)prop-2-enamide
CID 72685075
methyl 4-[3-[(2-methylquinolin-8-yl)amino]-3-oxoprop-1-enyl]benzoate
CID 72685101
(E)-3-[4-(diethylsulfamoyl)phenyl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)prop-2-enamide
CID 16545693
3-[4-(diethylsulfamoyl)phenyl]-N-(2,6-difluorophenyl)prop-2-enamide
CID 75618954
3-[4-(diethylsulfamoyl)phenyl]-N-(2-methyl-5-nitrophenyl)prop-2-enamide
CID 78783898
(E)-N-[5-(diethylsulfamoyl)-2-methylphenyl]-3-phenylprop-2-enamide
CID 7688966
N-[4-(diethylsulfamoyl)phenyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 1293099
(E)-N-[4-(diethylsulfamoyl)phenyl]-3-(4-fluorophenyl)prop-2-enamide
CID 1314257
(E)-3-[4-(diethylsulfamoyl)phenyl]-N-(4-sulfamoylphenyl)prop-2-enamide
CID 24640586
(E)-N-(4-acetamido-3-methylphenyl)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enamide
CID 46551494
3-[[(E)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enoyl]amino]-5-fluoro-4-methylbenzamide
CID 46486254
N-(3-cyanophenyl)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enamide
CID 71904739

Frequently Asked Questions

What is the IUPAC name of 3-[4-(diethylsulfamoyl)phenyl]-N-(2-methylquinolin-8-yl)prop-2-enamide?
The IUPAC name of 3-[4-(diethylsulfamoyl)phenyl]-N-(2-methylquinolin-8-yl)prop-2-enamide (CID 72685102) is 3-[4-(diethylsulfamoyl)phenyl]-N-(2-methylquinolin-8-yl)prop-2-enamide.
What is the SMILES notation for 3-[4-(diethylsulfamoyl)phenyl]-N-(2-methylquinolin-8-yl)prop-2-enamide?
The canonical SMILES for 3-[4-(diethylsulfamoyl)phenyl]-N-(2-methylquinolin-8-yl)prop-2-enamide is CCN(CC)S(=O)(=O)c1ccc(C=CC(=O)Nc2cccc3ccc(C)nc23)cc1.
What is the InChIKey of 3-[4-(diethylsulfamoyl)phenyl]-N-(2-methylquinolin-8-yl)prop-2-enamide?
The InChIKey is SVLCUQAWFUDZQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3S/c1-4-26(5-2)30(28,29)20-14-10-18(11-15-20)12-16-22(27)25-21-8-6-7-19-13-9-17(3)24-23(19)21/h6-16H,4-5H2,1-3H3,(H,25,27).
What are the key properties of 3-[4-(diethylsulfamoyl)phenyl]-N-(2-methylquinolin-8-yl)prop-2-enamide?
3-[4-(diethylsulfamoyl)phenyl]-N-(2-methylquinolin-8-yl)prop-2-enamide has a molecular weight of 423.54 g/mol, XLogP of 4.23, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(diethylsulfamoyl)phenyl]-N-(2-methylquinolin-8-yl)prop-2-enamide is sourced from PubChem (CID 72685102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).