N-[(3-methoxyphenyl)methyl]-N-(3-methoxypropyl)-6-methylquinoline-8-sulfonamide

C22H26N2O4S — CID 131912897

IUPACN-[(3-methoxyphenyl)methyl]-N-(3-methoxypropyl)-6-methylquinoline-8-sulfonamide
SMILESCOCCCN(Cc1cccc(OC)c1)S(=O)(=O)c1cc(C)cc2cccnc12
InChIInChI=1S/C22H26N2O4S/c1-17-13-19-8-5-10-23-22(19)21(14-17)29(25,26)24(11-6-12-27-2)16-18-7-4-9-20(15-18)28-3/h4-5,7-10,13-15H,6,11-12,16H2,1-3H3
InChIKeyUEGGULCXYHBGFW-UHFFFAOYSA-N
MW414.53 g/mol
LogP3.78
Rot. Bonds9

About N-[(3-methoxyphenyl)methyl]-N-(3-methoxypropyl)-6-methylquinoline-8-sulfonamide

N-[(3-methoxyphenyl)methyl]-N-(3-methoxypropyl)-6-methylquinoline-8-sulfonamide (PubChem CID 131912897) has the molecular formula C22H26N2O4S and a molecular weight of 414.53 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-N-(3-methoxypropyl)-6-methylquinoline-8-sulfonamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-N-(3-methoxypropyl)-6-methylquinoline-8-sulfonamide
PubChem CID131912897
Molecular FormulaC22H26N2O4S
Molecular Weight414.53 g/mol
Exact Mass414.16
IUPAC NameN-[(3-methoxyphenyl)methyl]-N-(3-methoxypropyl)-6-methylquinoline-8-sulfonamide
SMILESCOCCCN(Cc1cccc(OC)c1)S(=O)(=O)c1cc(C)cc2cccnc12
InChIInChI=1S/C22H26N2O4S/c1-17-13-19-8-5-10-23-22(19)21(14-17)29(25,26)24(11-6-12-27-2)16-18-7-4-9-20(15-18)28-3/h4-5,7-10,13-15H,6,11-12,16H2,1-3H3
InChIKeyUEGGULCXYHBGFW-UHFFFAOYSA-N
XLogP3.78
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.53
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-methoxyphenyl)methyl]-N-(3-methoxypropyl)-1,3-dimethylpyrazole-4-sulfonamide
CID 131930163
3-fluoro-N-[(3-methoxyphenyl)methyl]-N-(3-methoxypropyl)benzenesulfonamide
CID 131936762
ethyl 2-[[3-methoxypropyl(quinolin-8-ylsulfonyl)amino]methyl]-1,3-thiazole-4-carboxylate
CID 5108610
N-(3-aminopropyl)-N-benzyl-3-methylquinoline-8-sulfonamide;hydrochloride
CID 120664424
N-benzyl-N-ethylquinoline-8-sulfonamide
CID 5053863
N-[1-[(3-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]quinoline-8-sulfonamide
CID 22206350
6-methylquinoline-8-sulfonyl fluoride
CID 165453594
N-[(3,4-dimethoxyphenyl)methyl]-N-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]-4-methylbenzenesulfonamide
CID 42724266
methyl 3-[bis[(3-methoxyphenyl)methyl]sulfamoyl]thiophene-2-carboxylate
CID 57388725
ethyl 2-[2-methoxyethyl-(3-methylquinolin-8-yl)sulfonylamino]acetate
CID 55728980
N-[(3-methoxyphenyl)methyl]-N-(3-methoxypropyl)-3-methylthiophene-2-carboxamide
CID 131946745
ethyl 2-[(3-methoxyphenyl)methyl-(4-methoxyphenyl)sulfonylamino]acetate
CID 10691967

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-N-(3-methoxypropyl)-6-methylquinoline-8-sulfonamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-N-(3-methoxypropyl)-6-methylquinoline-8-sulfonamide (CID 131912897) is N-[(3-methoxyphenyl)methyl]-N-(3-methoxypropyl)-6-methylquinoline-8-sulfonamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-N-(3-methoxypropyl)-6-methylquinoline-8-sulfonamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-N-(3-methoxypropyl)-6-methylquinoline-8-sulfonamide is COCCCN(Cc1cccc(OC)c1)S(=O)(=O)c1cc(C)cc2cccnc12.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-N-(3-methoxypropyl)-6-methylquinoline-8-sulfonamide?
The InChIKey is UEGGULCXYHBGFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4S/c1-17-13-19-8-5-10-23-22(19)21(14-17)29(25,26)24(11-6-12-27-2)16-18-7-4-9-20(15-18)28-3/h4-5,7-10,13-15H,6,11-12,16H2,1-3H3.
What are the key properties of N-[(3-methoxyphenyl)methyl]-N-(3-methoxypropyl)-6-methylquinoline-8-sulfonamide?
N-[(3-methoxyphenyl)methyl]-N-(3-methoxypropyl)-6-methylquinoline-8-sulfonamide has a molecular weight of 414.53 g/mol, XLogP of 3.78, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-N-(3-methoxypropyl)-6-methylquinoline-8-sulfonamide is sourced from PubChem (CID 131912897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).