4-[(6-ethoxy-2-methylquinolin-4-yl)amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide

C21H20N4O3S2 — CID 44587237

IUPAC4-[(6-ethoxy-2-methylquinolin-4-yl)amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESCCOc1ccc2nc(C)cc(Nc3ccc(S(=O)(=O)Nc4nccs4)cc3)c2c1
InChIInChI=1S/C21H20N4O3S2/c1-3-28-16-6-9-19-18(13-16)20(12-14(2)23-19)24-15-4-7-17(8-5-15)30(26,27)25-21-22-10-11-29-21/h4-13H,3H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyOZBRPPTXBDYWLP-UHFFFAOYSA-N
MW440.55 g/mol
LogP4.94
Rot. Bonds7

About 4-[(6-ethoxy-2-methylquinolin-4-yl)amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide

4-[(6-ethoxy-2-methylquinolin-4-yl)amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 44587237) has the molecular formula C21H20N4O3S2 and a molecular weight of 440.55 g/mol. Its IUPAC name is 4-[(6-ethoxy-2-methylquinolin-4-yl)amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-[(6-ethoxy-2-methylquinolin-4-yl)amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID44587237
Molecular FormulaC21H20N4O3S2
Molecular Weight440.55 g/mol
Exact Mass440.10
IUPAC Name4-[(6-ethoxy-2-methylquinolin-4-yl)amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESCCOc1ccc2nc(C)cc(Nc3ccc(S(=O)(=O)Nc4nccs4)cc3)c2c1
InChIInChI=1S/C21H20N4O3S2/c1-3-28-16-6-9-19-18(13-16)20(12-14(2)23-19)24-15-4-7-17(8-5-15)30(26,27)25-21-22-10-11-29-21/h4-13H,3H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyOZBRPPTXBDYWLP-UHFFFAOYSA-N
XLogP4.94
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.55
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-cyclohexyl-4-[(6-ethoxy-2-methylquinolin-4-yl)amino]benzenesulfonamide
CID 169487812
6-ethoxy-N-(4-methoxyphenyl)-2-methylquinolin-4-amine
CID 696588
4-[2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfonyl]hydrazinyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 56992771
1-(4-ethoxyphenyl)-3-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]thiourea
CID 25043569
4-[(6-ethoxy-2-methylquinolin-4-yl)amino]-N-hydroxybenzamide
CID 176515048
2-(4-ethoxyphenoxy)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide
CID 53267177
4-(acridin-9-ylamino)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 10550689
6-ethoxy-2-methyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]quinolin-4-amine
CID 169487793
N-(3-bromophenyl)-6-ethoxy-2-methylquinolin-4-amine
CID 169487736
3-ethoxy-N-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamothioyl]benzamide
CID 4957664
4-[(4-phenoxyphenyl)sulfonylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 43908583
N-(6-ethoxy-2-methylquinolin-4-yl)-4-phenyl-1,3-thiazol-2-amine
CID 169487705

Frequently Asked Questions

What is the IUPAC name of 4-[(6-ethoxy-2-methylquinolin-4-yl)amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 4-[(6-ethoxy-2-methylquinolin-4-yl)amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide (CID 44587237) is 4-[(6-ethoxy-2-methylquinolin-4-yl)amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-[(6-ethoxy-2-methylquinolin-4-yl)amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 4-[(6-ethoxy-2-methylquinolin-4-yl)amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide is CCOc1ccc2nc(C)cc(Nc3ccc(S(=O)(=O)Nc4nccs4)cc3)c2c1.
What is the InChIKey of 4-[(6-ethoxy-2-methylquinolin-4-yl)amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is OZBRPPTXBDYWLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3S2/c1-3-28-16-6-9-19-18(13-16)20(12-14(2)23-19)24-15-4-7-17(8-5-15)30(26,27)25-21-22-10-11-29-21/h4-13H,3H2,1-2H3,(H,22,25)(H,23,24).
What are the key properties of 4-[(6-ethoxy-2-methylquinolin-4-yl)amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
4-[(6-ethoxy-2-methylquinolin-4-yl)amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 440.55 g/mol, XLogP of 4.94, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-ethoxy-2-methylquinolin-4-yl)amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 44587237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).