N-[4-(diethylsulfamoyl)phenyl]-2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)propanamide

C25H31N3O4S — CID 46301338

IUPACN-[4-(diethylsulfamoyl)phenyl]-2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)propanamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)C(C)n2c(=O)cc(C)c3cc(C)cc(C)c32)cc1
InChIInChI=1S/C25H31N3O4S/c1-7-27(8-2)33(31,32)21-11-9-20(10-12-21)26-25(30)19(6)28-23(29)15-17(4)22-14-16(3)13-18(5)24(22)28/h9-15,19H,7-8H2,1-6H3,(H,26,30)
InChIKeyDPSKOGUVTFWEAJ-UHFFFAOYSA-N
MW469.61 g/mol
LogP4.16
Rot. Bonds7

About N-[4-(diethylsulfamoyl)phenyl]-2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)propanamide

N-[4-(diethylsulfamoyl)phenyl]-2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)propanamide (PubChem CID 46301338) has the molecular formula C25H31N3O4S and a molecular weight of 469.61 g/mol. Its IUPAC name is N-[4-(diethylsulfamoyl)phenyl]-2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)propanamide.

Molecular Properties

Compound NameN-[4-(diethylsulfamoyl)phenyl]-2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)propanamide
PubChem CID46301338
Molecular FormulaC25H31N3O4S
Molecular Weight469.61 g/mol
Exact Mass469.20
IUPAC NameN-[4-(diethylsulfamoyl)phenyl]-2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)propanamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)C(C)n2c(=O)cc(C)c3cc(C)cc(C)c32)cc1
InChIInChI=1S/C25H31N3O4S/c1-7-27(8-2)33(31,32)21-11-9-20(10-12-21)26-25(30)19(6)28-23(29)15-17(4)22-14-16(3)13-18(5)24(22)28/h9-15,19H,7-8H2,1-6H3,(H,26,30)
InChIKeyDPSKOGUVTFWEAJ-UHFFFAOYSA-N
XLogP4.16
TPSA88.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.61
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(diethylsulfamoyl)phenyl]-2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)butanamide
CID 46301387
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)propanamide
CID 46301342
N-[4-(diethylsulfamoyl)phenyl]-2-[(5,7,9-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]propanamide
CID 46304320
(2R)-N-[4-(diethylsulfamoyl)phenyl]-2-(2,3,5-trimethylphenoxy)propanamide
CID 94028048
2-bromo-N-[4-(diethylsulfamoyl)phenyl]propanamide
CID 107903298
N-(4-acetamidophenyl)-2-(4,8-dimethyl-2-oxoquinolin-1-yl)propanamide
CID 46301175
2-(4,8-dimethyl-2-oxoquinolin-1-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 46301180
(2R)-N-[4-(diethylsulfamoyl)phenyl]-2-(3,4-dimethylphenoxy)propanamide
CID 40768898
N-[4-(diethylsulfamoyl)phenyl]-2-[[(2S)-2-hydroxypropyl]amino]acetamide
CID 2458881
(2S)-N-[4-(diethylsulfamoyl)phenyl]-2-(2,5-dimethylphenoxy)butanamide
CID 94012461
[(2R)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] 4-(diethylsulfamoyl)benzoate
CID 2557565
5-(diethylsulfamoyl)-2-methyl-N-(4-methylphenyl)benzamide
CID 8760171

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylsulfamoyl)phenyl]-2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)propanamide?
The IUPAC name of N-[4-(diethylsulfamoyl)phenyl]-2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)propanamide (CID 46301338) is N-[4-(diethylsulfamoyl)phenyl]-2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)propanamide.
What is the SMILES notation for N-[4-(diethylsulfamoyl)phenyl]-2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)propanamide?
The canonical SMILES for N-[4-(diethylsulfamoyl)phenyl]-2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)propanamide is CCN(CC)S(=O)(=O)c1ccc(NC(=O)C(C)n2c(=O)cc(C)c3cc(C)cc(C)c32)cc1.
What is the InChIKey of N-[4-(diethylsulfamoyl)phenyl]-2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)propanamide?
The InChIKey is DPSKOGUVTFWEAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O4S/c1-7-27(8-2)33(31,32)21-11-9-20(10-12-21)26-25(30)19(6)28-23(29)15-17(4)22-14-16(3)13-18(5)24(22)28/h9-15,19H,7-8H2,1-6H3,(H,26,30).
What are the key properties of N-[4-(diethylsulfamoyl)phenyl]-2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)propanamide?
N-[4-(diethylsulfamoyl)phenyl]-2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)propanamide has a molecular weight of 469.61 g/mol, XLogP of 4.16, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylsulfamoyl)phenyl]-2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)propanamide is sourced from PubChem (CID 46301338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).