N-cyclohexyl-4-[(6-ethoxy-2-methylquinolin-4-yl)amino]benzenesulfonamide

C24H29N3O3S — CID 169487812

IUPACN-cyclohexyl-4-[(6-ethoxy-2-methylquinolin-4-yl)amino]benzenesulfonamide
SMILESCCOc1ccc2nc(C)cc(Nc3ccc(S(=O)(=O)NC4CCCCC4)cc3)c2c1
InChIInChI=1S/C24H29N3O3S/c1-3-30-20-11-14-23-22(16-20)24(15-17(2)25-23)26-18-9-12-21(13-10-18)31(28,29)27-19-7-5-4-6-8-19/h9-16,19,27H,3-8H2,1-2H3,(H,25,26)
InChIKeyXYDYWSQUDQTHRK-UHFFFAOYSA-N
MW439.58 g/mol
LogP5.30
Rot. Bonds7

About N-cyclohexyl-4-[(6-ethoxy-2-methylquinolin-4-yl)amino]benzenesulfonamide

N-cyclohexyl-4-[(6-ethoxy-2-methylquinolin-4-yl)amino]benzenesulfonamide (PubChem CID 169487812) has the molecular formula C24H29N3O3S and a molecular weight of 439.58 g/mol. Its IUPAC name is N-cyclohexyl-4-[(6-ethoxy-2-methylquinolin-4-yl)amino]benzenesulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-4-[(6-ethoxy-2-methylquinolin-4-yl)amino]benzenesulfonamide
PubChem CID169487812
Molecular FormulaC24H29N3O3S
Molecular Weight439.58 g/mol
Exact Mass439.19
IUPAC NameN-cyclohexyl-4-[(6-ethoxy-2-methylquinolin-4-yl)amino]benzenesulfonamide
SMILESCCOc1ccc2nc(C)cc(Nc3ccc(S(=O)(=O)NC4CCCCC4)cc3)c2c1
InChIInChI=1S/C24H29N3O3S/c1-3-30-20-11-14-23-22(16-20)24(15-17(2)25-23)26-18-9-12-21(13-10-18)31(28,29)27-19-7-5-4-6-8-19/h9-16,19,27H,3-8H2,1-2H3,(H,25,26)
InChIKeyXYDYWSQUDQTHRK-UHFFFAOYSA-N
XLogP5.30
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.58
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(6-ethoxy-2-methylquinolin-4-yl)amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 44587237
6-ethoxy-N-(4-methoxyphenyl)-2-methylquinolin-4-amine
CID 696588
N-cyclohexyl-4-[(2,7-dimethyl-1,8-naphthyridin-4-yl)amino]benzenesulfonamide
CID 19258608
4-[(6-ethoxy-2-methylquinolin-4-yl)amino]-N-hydroxybenzamide
CID 176515048
N-(3-chloro-4-methylphenyl)-6-ethoxy-2-methylquinolin-4-amine
CID 948543
4-[4-(cyclohexylmethoxy)anilino]-2-methylquinolin-6-ol
CID 22417863
N-(3-bromophenyl)-6-ethoxy-2-methylquinolin-4-amine
CID 169487736
6-ethoxy-2-methyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]quinolin-4-amine
CID 169487793
6-ethoxy-N-(2-fluorophenyl)-2-methylquinolin-4-amine;hydrochloride
CID 56728858
N-(2,3-dichlorophenyl)-6-ethoxy-2-methylquinolin-4-amine
CID 169487789
methyl 2-[(6-ethoxy-2-methylquinolin-4-yl)amino]benzoate
CID 169487758
N-cyclooctyl-4-(ethylamino)benzenesulfonamide
CID 62150101

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[(6-ethoxy-2-methylquinolin-4-yl)amino]benzenesulfonamide?
The IUPAC name of N-cyclohexyl-4-[(6-ethoxy-2-methylquinolin-4-yl)amino]benzenesulfonamide (CID 169487812) is N-cyclohexyl-4-[(6-ethoxy-2-methylquinolin-4-yl)amino]benzenesulfonamide.
What is the SMILES notation for N-cyclohexyl-4-[(6-ethoxy-2-methylquinolin-4-yl)amino]benzenesulfonamide?
The canonical SMILES for N-cyclohexyl-4-[(6-ethoxy-2-methylquinolin-4-yl)amino]benzenesulfonamide is CCOc1ccc2nc(C)cc(Nc3ccc(S(=O)(=O)NC4CCCCC4)cc3)c2c1.
What is the InChIKey of N-cyclohexyl-4-[(6-ethoxy-2-methylquinolin-4-yl)amino]benzenesulfonamide?
The InChIKey is XYDYWSQUDQTHRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3S/c1-3-30-20-11-14-23-22(16-20)24(15-17(2)25-23)26-18-9-12-21(13-10-18)31(28,29)27-19-7-5-4-6-8-19/h9-16,19,27H,3-8H2,1-2H3,(H,25,26).
What are the key properties of N-cyclohexyl-4-[(6-ethoxy-2-methylquinolin-4-yl)amino]benzenesulfonamide?
N-cyclohexyl-4-[(6-ethoxy-2-methylquinolin-4-yl)amino]benzenesulfonamide has a molecular weight of 439.58 g/mol, XLogP of 5.30, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-[(6-ethoxy-2-methylquinolin-4-yl)amino]benzenesulfonamide is sourced from PubChem (CID 169487812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).