8-amino-N-(1,3-thiazol-2-yl)quinoline-5-sulfonamide;2-phenoxy-N-[5-(1,3-thiazol-2-ylsulfamoyl)quinolin-8-yl]propanamide

C33H28N8O6S4 — CID 159233782

IUPAC8-amino-N-(1,3-thiazol-2-yl)quinoline-5-sulfonamide;2-phenoxy-N-[5-(1,3-thiazol-2-ylsulfamoyl)quinolin-8-yl]propanamide
SMILESCC(Oc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)c2cccnc12.Nc1ccc(S(=O)(=O)Nc2nccs2)c2cccnc12
InChIInChI=1S/C21H18N4O4S2.C12H10N4O2S2/c1-14(29-15-6-3-2-4-7-15)20(26)24-17-9-10-18(16-8-5-11-22-19(16)17)31(27,28)25-21-23-12-13-30-21;13-9-3-4-10(8-2-1-5-14-11(8)9)20(17,18)16-12-15-6-7-19-12/h2-14H,1H3,(H,23,25)(H,24,26);1-7H,13H2,(H,15,16)
InChIKeyKTFKARJKAWZRID-UHFFFAOYSA-N
MW760.91 g/mol
LogP5.97
Rot. Bonds10

About 8-amino-N-(1,3-thiazol-2-yl)quinoline-5-sulfonamide;2-phenoxy-N-[5-(1,3-thiazol-2-ylsulfamoyl)quinolin-8-yl]propanamide

8-amino-N-(1,3-thiazol-2-yl)quinoline-5-sulfonamide;2-phenoxy-N-[5-(1,3-thiazol-2-ylsulfamoyl)quinolin-8-yl]propanamide (PubChem CID 159233782) has the molecular formula C33H28N8O6S4 and a molecular weight of 760.91 g/mol. Its IUPAC name is 8-amino-N-(1,3-thiazol-2-yl)quinoline-5-sulfonamide;2-phenoxy-N-[5-(1,3-thiazol-2-ylsulfamoyl)quinolin-8-yl]propanamide.

Molecular Properties

Compound Name8-amino-N-(1,3-thiazol-2-yl)quinoline-5-sulfonamide;2-phenoxy-N-[5-(1,3-thiazol-2-ylsulfamoyl)quinolin-8-yl]propanamide
PubChem CID159233782
Molecular FormulaC33H28N8O6S4
Molecular Weight760.91 g/mol
Exact Mass760.10
IUPAC Name8-amino-N-(1,3-thiazol-2-yl)quinoline-5-sulfonamide;2-phenoxy-N-[5-(1,3-thiazol-2-ylsulfamoyl)quinolin-8-yl]propanamide
SMILESCC(Oc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)c2cccnc12.Nc1ccc(S(=O)(=O)Nc2nccs2)c2cccnc12
InChIInChI=1S/C21H18N4O4S2.C12H10N4O2S2/c1-14(29-15-6-3-2-4-7-15)20(26)24-17-9-10-18(16-8-5-11-22-19(16)17)31(27,28)25-21-23-12-13-30-21;13-9-3-4-10(8-2-1-5-14-11(8)9)20(17,18)16-12-15-6-7-19-12/h2-14H,1H3,(H,23,25)(H,24,26);1-7H,13H2,(H,15,16)
InChIKeyKTFKARJKAWZRID-UHFFFAOYSA-N
XLogP5.97
TPSA208.25 Ų
H-Bond Donors4
H-Bond Acceptors13
Rotatable Bonds10
Heavy Atoms51
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500760.91
LogP ≤ 55.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 8-amino-N-(1,3-thiazol-2-yl)quinoline-5-sulfonamide;2-phenoxy-N-[5-(1,3-thiazol-2-ylsulfamoyl)quinolin-8-yl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-phenoxy-N-(1,3-thiazol-2-yl)propanamide
CID 4279674
(2S)-2-(4-phenylphenoxy)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide
CID 42561538
2-(2-tert-butylphenoxy)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide
CID 53266512
2-(4-nitrophenoxy)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide
CID 4951265
2-(4-ethoxyphenoxy)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide
CID 53267177
N-[5-(1,3-thiazol-2-ylsulfamoyl)naphthalen-1-yl]acetamide
CID 146763683
2-phenoxy-N-quinolin-5-ylpropanamide
CID 18076800
5-amino-N-(1,3-thiazol-2-yl)naphthalene-1-sulfonamide;2-indol-1-yl-N-[5-(1,3-thiazol-2-ylsulfamoyl)naphthalen-1-yl]propanamide
CID 162229947
2-(3-methyl-4-propan-2-ylphenoxy)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide
CID 53266898
(2R)-2-(4-methoxyphenoxy)-N-(1,3-thiazol-2-yl)propanamide
CID 719476
2-[2-(4-methylphenoxy)propanoylamino]-N-(1,3-thiazol-2-yl)benzamide
CID 17361272
2-phenoxy-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
CID 3148025

Frequently Asked Questions

What is the IUPAC name of 8-amino-N-(1,3-thiazol-2-yl)quinoline-5-sulfonamide;2-phenoxy-N-[5-(1,3-thiazol-2-ylsulfamoyl)quinolin-8-yl]propanamide?
The IUPAC name of 8-amino-N-(1,3-thiazol-2-yl)quinoline-5-sulfonamide;2-phenoxy-N-[5-(1,3-thiazol-2-ylsulfamoyl)quinolin-8-yl]propanamide (CID 159233782) is 8-amino-N-(1,3-thiazol-2-yl)quinoline-5-sulfonamide;2-phenoxy-N-[5-(1,3-thiazol-2-ylsulfamoyl)quinolin-8-yl]propanamide.
What is the SMILES notation for 8-amino-N-(1,3-thiazol-2-yl)quinoline-5-sulfonamide;2-phenoxy-N-[5-(1,3-thiazol-2-ylsulfamoyl)quinolin-8-yl]propanamide?
The canonical SMILES for 8-amino-N-(1,3-thiazol-2-yl)quinoline-5-sulfonamide;2-phenoxy-N-[5-(1,3-thiazol-2-ylsulfamoyl)quinolin-8-yl]propanamide is CC(Oc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)c2cccnc12.Nc1ccc(S(=O)(=O)Nc2nccs2)c2cccnc12.
What is the InChIKey of 8-amino-N-(1,3-thiazol-2-yl)quinoline-5-sulfonamide;2-phenoxy-N-[5-(1,3-thiazol-2-ylsulfamoyl)quinolin-8-yl]propanamide?
The InChIKey is KTFKARJKAWZRID-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O4S2.C12H10N4O2S2/c1-14(29-15-6-3-2-4-7-15)20(26)24-17-9-10-18(16-8-5-11-22-19(16)17)31(27,28)25-21-23-12-13-30-21;13-9-3-4-10(8-2-1-5-14-11(8)9)20(17,18)16-12-15-6-7-19-12/h2-14H,1H3,(H,23,25)(H,24,26);1-7H,13H2,(H,15,16).
What are the key properties of 8-amino-N-(1,3-thiazol-2-yl)quinoline-5-sulfonamide;2-phenoxy-N-[5-(1,3-thiazol-2-ylsulfamoyl)quinolin-8-yl]propanamide?
8-amino-N-(1,3-thiazol-2-yl)quinoline-5-sulfonamide;2-phenoxy-N-[5-(1,3-thiazol-2-ylsulfamoyl)quinolin-8-yl]propanamide has a molecular weight of 760.91 g/mol, XLogP of 5.97, 10 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-N-(1,3-thiazol-2-yl)quinoline-5-sulfonamide;2-phenoxy-N-[5-(1,3-thiazol-2-ylsulfamoyl)quinolin-8-yl]propanamide is sourced from PubChem (CID 159233782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).