N-[4-(diethylsulfamoyl)phenyl]-2-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)acetamide

C22H23N5O3S2 — CID 23611456

IUPACN-[4-(diethylsulfamoyl)phenyl]-2-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)CSc2nnc3ccc4ccccc4n23)cc1
InChIInChI=1S/C22H23N5O3S2/c1-3-26(4-2)32(29,30)18-12-10-17(11-13-18)23-21(28)15-31-22-25-24-20-14-9-16-7-5-6-8-19(16)27(20)22/h5-14H,3-4,15H2,1-2H3,(H,23,28)
InChIKeyZOJHVFBOIKBNQL-UHFFFAOYSA-N
MW469.59 g/mol
LogP3.64
Rot. Bonds8

About N-[4-(diethylsulfamoyl)phenyl]-2-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)acetamide

N-[4-(diethylsulfamoyl)phenyl]-2-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)acetamide (PubChem CID 23611456) has the molecular formula C22H23N5O3S2 and a molecular weight of 469.59 g/mol. Its IUPAC name is N-[4-(diethylsulfamoyl)phenyl]-2-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-[4-(diethylsulfamoyl)phenyl]-2-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)acetamide
PubChem CID23611456
Molecular FormulaC22H23N5O3S2
Molecular Weight469.59 g/mol
Exact Mass469.12
IUPAC NameN-[4-(diethylsulfamoyl)phenyl]-2-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)CSc2nnc3ccc4ccccc4n23)cc1
InChIInChI=1S/C22H23N5O3S2/c1-3-26(4-2)32(29,30)18-12-10-17(11-13-18)23-21(28)15-31-22-25-24-20-14-9-16-7-5-6-8-19(16)27(20)22/h5-14H,3-4,15H2,1-2H3,(H,23,28)
InChIKeyZOJHVFBOIKBNQL-UHFFFAOYSA-N
XLogP3.64
TPSA96.67 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.59
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-methylphenyl)-2-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)acetamide
CID 4181210
N-(2-methylphenyl)-2-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)acetamide
CID 9125389
N-[4-(diethylsulfamoyl)phenyl]-2-(2-methylphenyl)sulfanylacetamide
CID 9415957
2-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 983882
N-[4-(diethylsulfamoyl)phenyl]-2-(2-methylsulfanylbenzimidazol-1-yl)acetamide
CID 4883075
N-[4-(diethylsulfamoyl)phenyl]-2-[4-(ethylamino)quinazolin-2-yl]sulfanylacetamide
CID 27098326
2-[[4-amino-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[4-(diethylsulfamoyl)phenyl]acetamide
CID 2411280
N-(3,5-dimethylphenyl)-3-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)propanamide
CID 46303689
N-[4-(diethylsulfamoyl)phenyl]-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 2109822
2-[[4-(4-chlorophenyl)-5-(1H-indol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[4-(diethylsulfamoyl)phenyl]acetamide
CID 135585115
2-[[5-[3-(diethylsulfamoyl)phenyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-fluorophenyl)acetamide
CID 2381467
2-[4-(diethylsulfamoyl)anilino]-N-naphthalen-2-ylacetamide
CID 9084099

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylsulfamoyl)phenyl]-2-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)acetamide?
The IUPAC name of N-[4-(diethylsulfamoyl)phenyl]-2-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)acetamide (CID 23611456) is N-[4-(diethylsulfamoyl)phenyl]-2-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)acetamide.
What is the SMILES notation for N-[4-(diethylsulfamoyl)phenyl]-2-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)acetamide?
The canonical SMILES for N-[4-(diethylsulfamoyl)phenyl]-2-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)acetamide is CCN(CC)S(=O)(=O)c1ccc(NC(=O)CSc2nnc3ccc4ccccc4n23)cc1.
What is the InChIKey of N-[4-(diethylsulfamoyl)phenyl]-2-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)acetamide?
The InChIKey is ZOJHVFBOIKBNQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O3S2/c1-3-26(4-2)32(29,30)18-12-10-17(11-13-18)23-21(28)15-31-22-25-24-20-14-9-16-7-5-6-8-19(16)27(20)22/h5-14H,3-4,15H2,1-2H3,(H,23,28).
What are the key properties of N-[4-(diethylsulfamoyl)phenyl]-2-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)acetamide?
N-[4-(diethylsulfamoyl)phenyl]-2-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)acetamide has a molecular weight of 469.59 g/mol, XLogP of 3.64, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylsulfamoyl)phenyl]-2-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)acetamide is sourced from PubChem (CID 23611456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).