6-methyl-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]quinoline-8-sulfonamide

C23H27N3O3S — CID 51966441

IUPAC6-methyl-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]quinoline-8-sulfonamide
SMILESCc1ccc([C@@H](CNS(=O)(=O)c2cc(C)cc3cccnc23)N2CCOCC2)cc1
InChIInChI=1S/C23H27N3O3S/c1-17-5-7-19(8-6-17)21(26-10-12-29-13-11-26)16-25-30(27,28)22-15-18(2)14-20-4-3-9-24-23(20)22/h3-9,14-15,21,25H,10-13,16H2,1-2H3/t21-/m1/s1
InChIKeyICNIYMURUJTWQD-OAQYLSRUSA-N
MW425.55 g/mol
LogP3.20
Rot. Bonds6

About 6-methyl-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]quinoline-8-sulfonamide

6-methyl-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]quinoline-8-sulfonamide (PubChem CID 51966441) has the molecular formula C23H27N3O3S and a molecular weight of 425.55 g/mol. Its IUPAC name is 6-methyl-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]quinoline-8-sulfonamide.

Molecular Properties

Compound Name6-methyl-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]quinoline-8-sulfonamide
PubChem CID51966441
Molecular FormulaC23H27N3O3S
Molecular Weight425.55 g/mol
Exact Mass425.18
IUPAC Name6-methyl-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]quinoline-8-sulfonamide
SMILESCc1ccc([C@@H](CNS(=O)(=O)c2cc(C)cc3cccnc23)N2CCOCC2)cc1
InChIInChI=1S/C23H27N3O3S/c1-17-5-7-19(8-6-17)21(26-10-12-29-13-11-26)16-25-30(27,28)22-15-18(2)14-20-4-3-9-24-23(20)22/h3-9,14-15,21,25H,10-13,16H2,1-2H3/t21-/m1/s1
InChIKeyICNIYMURUJTWQD-OAQYLSRUSA-N
XLogP3.20
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.55
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-methyl-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]quinoline-8-sulfonamide with MolForge

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Launch Full Analysis

Related Compounds

2-methoxy-4,5-dimethyl-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide
CID 22694281
2-methoxy-4,5-dimethyl-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide
CID 9125340
2,5-dimethyl-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)benzenesulfonamide
CID 112506407
4-fluoro-2-methyl-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide
CID 44903236
5-fluoro-2-methoxy-N-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide
CID 30835930
4-methyl-N-[(2S)-2-morpholin-4-yl-2-pyridin-3-ylethyl]benzenesulfonamide
CID 30888568
8-methoxy-N-(2-morpholin-4-yl-2-phenylethyl)quinoline-5-sulfonamide
CID 47062207
N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 16831463
2,3-dimethyl-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]-5-nitrobenzenesulfonamide
CID 60530226
N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]propane-1-sulfonamide
CID 112503641
4-N-cyclopropyl-1-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzene-1,4-disulfonamide
CID 55873638
1,5-dimethyl-N-[(2R)-2-morpholin-4-yl-2-phenylethyl]pyrazole-4-sulfonamide
CID 51853490

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]quinoline-8-sulfonamide?
The IUPAC name of 6-methyl-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]quinoline-8-sulfonamide (CID 51966441) is 6-methyl-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]quinoline-8-sulfonamide.
What is the SMILES notation for 6-methyl-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]quinoline-8-sulfonamide?
The canonical SMILES for 6-methyl-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]quinoline-8-sulfonamide is Cc1ccc([C@@H](CNS(=O)(=O)c2cc(C)cc3cccnc23)N2CCOCC2)cc1.
What is the InChIKey of 6-methyl-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]quinoline-8-sulfonamide?
The InChIKey is ICNIYMURUJTWQD-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H27N3O3S/c1-17-5-7-19(8-6-17)21(26-10-12-29-13-11-26)16-25-30(27,28)22-15-18(2)14-20-4-3-9-24-23(20)22/h3-9,14-15,21,25H,10-13,16H2,1-2H3/t21-/m1/s1.
What are the key properties of 6-methyl-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]quinoline-8-sulfonamide?
6-methyl-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]quinoline-8-sulfonamide has a molecular weight of 425.55 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]quinoline-8-sulfonamide is sourced from PubChem (CID 51966441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).