N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-quinolin-8-ylacetamide

C25H23N3O5S — CID 46571780

IUPACN-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-quinolin-8-ylacetamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(NC(=O)Cc3cccc4cccnc34)ccc2OC)cc1
InChIInChI=1S/C25H23N3O5S/c1-32-21-11-8-19(9-12-21)28-34(30,31)23-16-20(10-13-22(23)33-2)27-24(29)15-18-6-3-5-17-7-4-14-26-25(17)18/h3-14,16,28H,15H2,1-2H3,(H,27,29)
InChIKeyMVNGUTWQBXKBHJ-UHFFFAOYSA-N
MW477.54 g/mol
LogP4.23
Rot. Bonds8

About N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-quinolin-8-ylacetamide

N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-quinolin-8-ylacetamide (PubChem CID 46571780) has the molecular formula C25H23N3O5S and a molecular weight of 477.54 g/mol. Its IUPAC name is N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-quinolin-8-ylacetamide.

Molecular Properties

Compound NameN-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-quinolin-8-ylacetamide
PubChem CID46571780
Molecular FormulaC25H23N3O5S
Molecular Weight477.54 g/mol
Exact Mass477.14
IUPAC NameN-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-quinolin-8-ylacetamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(NC(=O)Cc3cccc4cccnc34)ccc2OC)cc1
InChIInChI=1S/C25H23N3O5S/c1-32-21-11-8-19(9-12-21)28-34(30,31)23-16-20(10-13-22(23)33-2)27-24(29)15-18-6-3-5-17-7-4-14-26-25(17)18/h3-14,16,28H,15H2,1-2H3,(H,27,29)
InChIKeyMVNGUTWQBXKBHJ-UHFFFAOYSA-N
XLogP4.23
TPSA106.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.54
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2,5-dimethoxy-N-(2-quinolin-8-ylethyl)benzenesulfonamide
CID 18152497
N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-methylsulfanylacetamide
CID 4788054
N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]-2-(2-nitrophenyl)acetamide
CID 35745392
2-(2-fluorophenoxy)-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]acetamide
CID 3279228
N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-quinolin-8-ylacetamide
CID 24666445
N-(3,5-dimethylphenyl)-2-quinolin-8-ylacetamide
CID 51307005
3-ethylsulfanyl-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]propanamide
CID 55790257
8-methoxy-N-(4-methoxyphenyl)quinoline-5-sulfonamide
CID 729403
2-(2-fluorophenyl)-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]acetamide
CID 35155544
N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 26851497
4-(4-ethoxyphenyl)-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]-4-oxobutanamide
CID 4851333
(E)-3-(2,6-difluorophenyl)-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide
CID 46489533

Frequently Asked Questions

What is the IUPAC name of N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-quinolin-8-ylacetamide?
The IUPAC name of N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-quinolin-8-ylacetamide (CID 46571780) is N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-quinolin-8-ylacetamide.
What is the SMILES notation for N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-quinolin-8-ylacetamide?
The canonical SMILES for N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-quinolin-8-ylacetamide is COc1ccc(NS(=O)(=O)c2cc(NC(=O)Cc3cccc4cccnc34)ccc2OC)cc1.
What is the InChIKey of N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-quinolin-8-ylacetamide?
The InChIKey is MVNGUTWQBXKBHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O5S/c1-32-21-11-8-19(9-12-21)28-34(30,31)23-16-20(10-13-22(23)33-2)27-24(29)15-18-6-3-5-17-7-4-14-26-25(17)18/h3-14,16,28H,15H2,1-2H3,(H,27,29).
What are the key properties of N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-quinolin-8-ylacetamide?
N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-quinolin-8-ylacetamide has a molecular weight of 477.54 g/mol, XLogP of 4.23, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-quinolin-8-ylacetamide is sourced from PubChem (CID 46571780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).