N-[4-(2-methoxyethyl)phenyl]-N-methyl-4-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]benzenesulfonamide

C26H31N3O3S — CID 71050433

IUPACN-[4-(2-methoxyethyl)phenyl]-N-methyl-4-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]benzenesulfonamide
SMILESCOCCc1ccc(N(C)S(=O)(=O)c2ccc(CNC3CCCc4cccnc43)cc2)cc1
InChIInChI=1S/C26H31N3O3S/c1-29(23-12-8-20(9-13-23)16-18-32-2)33(30,31)24-14-10-21(11-15-24)19-28-25-7-3-5-22-6-4-17-27-26(22)25/h4,6,8-15,17,25,28H,3,5,7,16,18-19H2,1-2H3
InChIKeyLRNKDYOKZRCWIJ-UHFFFAOYSA-N
MW465.62 g/mol
LogP4.26
Rot. Bonds9

About N-[4-(2-methoxyethyl)phenyl]-N-methyl-4-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]benzenesulfonamide

N-[4-(2-methoxyethyl)phenyl]-N-methyl-4-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]benzenesulfonamide (PubChem CID 71050433) has the molecular formula C26H31N3O3S and a molecular weight of 465.62 g/mol. Its IUPAC name is N-[4-(2-methoxyethyl)phenyl]-N-methyl-4-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[4-(2-methoxyethyl)phenyl]-N-methyl-4-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]benzenesulfonamide
PubChem CID71050433
Molecular FormulaC26H31N3O3S
Molecular Weight465.62 g/mol
Exact Mass465.21
IUPAC NameN-[4-(2-methoxyethyl)phenyl]-N-methyl-4-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]benzenesulfonamide
SMILESCOCCc1ccc(N(C)S(=O)(=O)c2ccc(CNC3CCCc4cccnc43)cc2)cc1
InChIInChI=1S/C26H31N3O3S/c1-29(23-12-8-20(9-13-23)16-18-32-2)33(30,31)24-14-10-21(11-15-24)19-28-25-7-3-5-22-6-4-17-27-26(22)25/h4,6,8-15,17,25,28H,3,5,7,16,18-19H2,1-2H3
InChIKeyLRNKDYOKZRCWIJ-UHFFFAOYSA-N
XLogP4.26
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.62
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[4-(2-methoxyethyl)phenyl]-N-methyl-4-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]benzenesulfonamide with MolForge

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Related Compounds

N-benzyl-N-methyl-4-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]benzenesulfonamide
CID 71050435
N-[[4-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]phenyl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 71026047
N-[[3-[2-methoxyethyl(methyl)amino]sulfanylphenyl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 145471371
(8S)-N-benzyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 11736560
N-benzyl-3-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]benzenesulfonamide
CID 59826223
N-[[4-(2-methoxyphenyl)phenyl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 142661060
N-(pyridin-2-ylmethyl)-3-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]benzenesulfonamide
CID 10136158
N-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 79078877
N-pyridin-2-yl-4-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]benzamide
CID 10133044
N-[[4-[N-methyl-4-(3-morpholin-4-ylpropyl)anilino]sulfanylphenyl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 89232129
N-[[4-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]phenyl]methyl]-2,3-dihydropyridine-2-sulfonamide
CID 71108386
N-[[4-[(1H-pyrazol-5-ylamino)methyl]phenyl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 142660743

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methoxyethyl)phenyl]-N-methyl-4-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]benzenesulfonamide?
The IUPAC name of N-[4-(2-methoxyethyl)phenyl]-N-methyl-4-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]benzenesulfonamide (CID 71050433) is N-[4-(2-methoxyethyl)phenyl]-N-methyl-4-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]benzenesulfonamide.
What is the SMILES notation for N-[4-(2-methoxyethyl)phenyl]-N-methyl-4-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]benzenesulfonamide?
The canonical SMILES for N-[4-(2-methoxyethyl)phenyl]-N-methyl-4-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]benzenesulfonamide is COCCc1ccc(N(C)S(=O)(=O)c2ccc(CNC3CCCc4cccnc43)cc2)cc1.
What is the InChIKey of N-[4-(2-methoxyethyl)phenyl]-N-methyl-4-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]benzenesulfonamide?
The InChIKey is LRNKDYOKZRCWIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O3S/c1-29(23-12-8-20(9-13-23)16-18-32-2)33(30,31)24-14-10-21(11-15-24)19-28-25-7-3-5-22-6-4-17-27-26(22)25/h4,6,8-15,17,25,28H,3,5,7,16,18-19H2,1-2H3.
What are the key properties of N-[4-(2-methoxyethyl)phenyl]-N-methyl-4-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]benzenesulfonamide?
N-[4-(2-methoxyethyl)phenyl]-N-methyl-4-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]benzenesulfonamide has a molecular weight of 465.62 g/mol, XLogP of 4.26, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methoxyethyl)phenyl]-N-methyl-4-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]benzenesulfonamide is sourced from PubChem (CID 71050433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).