3-[4-(diethylsulfamoyl)phenyl]-N-quinolin-2-ylpropanamide

C22H25N3O3S — CID 55436052

IUPAC3-[4-(diethylsulfamoyl)phenyl]-N-quinolin-2-ylpropanamide
SMILESCCN(CC)S(=O)(=O)c1ccc(CCC(=O)Nc2ccc3ccccc3n2)cc1
InChIInChI=1S/C22H25N3O3S/c1-3-25(4-2)29(27,28)19-13-9-17(10-14-19)11-16-22(26)24-21-15-12-18-7-5-6-8-20(18)23-21/h5-10,12-15H,3-4,11,16H2,1-2H3,(H,23,24,26)
InChIKeyJLHKHUWFGZGNOJ-UHFFFAOYSA-N
MW411.53 g/mol
LogP3.84
Rot. Bonds8

About 3-[4-(diethylsulfamoyl)phenyl]-N-quinolin-2-ylpropanamide

3-[4-(diethylsulfamoyl)phenyl]-N-quinolin-2-ylpropanamide (PubChem CID 55436052) has the molecular formula C22H25N3O3S and a molecular weight of 411.53 g/mol. Its IUPAC name is 3-[4-(diethylsulfamoyl)phenyl]-N-quinolin-2-ylpropanamide.

Molecular Properties

Compound Name3-[4-(diethylsulfamoyl)phenyl]-N-quinolin-2-ylpropanamide
PubChem CID55436052
Molecular FormulaC22H25N3O3S
Molecular Weight411.53 g/mol
Exact Mass411.16
IUPAC Name3-[4-(diethylsulfamoyl)phenyl]-N-quinolin-2-ylpropanamide
SMILESCCN(CC)S(=O)(=O)c1ccc(CCC(=O)Nc2ccc3ccccc3n2)cc1
InChIInChI=1S/C22H25N3O3S/c1-3-25(4-2)29(27,28)19-13-9-17(10-14-19)11-16-22(26)24-21-15-12-18-7-5-6-8-20(18)23-21/h5-10,12-15H,3-4,11,16H2,1-2H3,(H,23,24,26)
InChIKeyJLHKHUWFGZGNOJ-UHFFFAOYSA-N
XLogP3.84
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.53
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1H-benzimidazol-2-yl)-3-[4-(diethylsulfamoyl)phenyl]propanamide
CID 27649678
N-(1,3-benzothiazol-2-yl)-3-[4-(diethylsulfamoyl)phenyl]propanamide
CID 46828199
3-[4-(diethylsulfamoyl)phenyl]-N-(2-phenylpyrimidin-5-yl)propanamide
CID 134009516
N-[6-(diethylsulfamoyl)-1,3-benzothiazol-2-yl]-3-phenylpropanamide
CID 3472361
N-[2-(diethylamino)ethyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide
CID 55393884
3-[4-(diethylsulfamoyl)phenyl]-N-[(2R)-4-phenylbutan-2-yl]propanamide
CID 29206514
3-(1,3-benzoxazol-2-yl)-N-[4-(diethylsulfamoyl)phenyl]propanamide
CID 9404274
3-[4-(diethylsulfamoyl)phenyl]-N-(2-methylbutan-2-yl)propanamide
CID 51211052
N-[(2-chlorophenyl)methyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide
CID 26244985
(2R)-2-[3-[4-(diethylsulfamoyl)phenyl]propanoylamino]propanoic acid
CID 119243803
3-[4-(diethylsulfamoyl)phenyl]-N-(3-hydroxypropyl)propanamide
CID 78821548
3-[4-(diethylsulfamoyl)phenyl]-N-[2-(dimethylamino)-2-oxoethyl]propanamide
CID 31337257

Frequently Asked Questions

What is the IUPAC name of 3-[4-(diethylsulfamoyl)phenyl]-N-quinolin-2-ylpropanamide?
The IUPAC name of 3-[4-(diethylsulfamoyl)phenyl]-N-quinolin-2-ylpropanamide (CID 55436052) is 3-[4-(diethylsulfamoyl)phenyl]-N-quinolin-2-ylpropanamide.
What is the SMILES notation for 3-[4-(diethylsulfamoyl)phenyl]-N-quinolin-2-ylpropanamide?
The canonical SMILES for 3-[4-(diethylsulfamoyl)phenyl]-N-quinolin-2-ylpropanamide is CCN(CC)S(=O)(=O)c1ccc(CCC(=O)Nc2ccc3ccccc3n2)cc1.
What is the InChIKey of 3-[4-(diethylsulfamoyl)phenyl]-N-quinolin-2-ylpropanamide?
The InChIKey is JLHKHUWFGZGNOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3S/c1-3-25(4-2)29(27,28)19-13-9-17(10-14-19)11-16-22(26)24-21-15-12-18-7-5-6-8-20(18)23-21/h5-10,12-15H,3-4,11,16H2,1-2H3,(H,23,24,26).
What are the key properties of 3-[4-(diethylsulfamoyl)phenyl]-N-quinolin-2-ylpropanamide?
3-[4-(diethylsulfamoyl)phenyl]-N-quinolin-2-ylpropanamide has a molecular weight of 411.53 g/mol, XLogP of 3.84, 8 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-quinolin-2-ylpropanamide is sourced from PubChem (CID 55436052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).