2-methoxy-4,5-dimethyl-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide

C22H30N2O4S — CID 9125340

IUPAC2-methoxy-4,5-dimethyl-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide
SMILESCOc1cc(C)c(C)cc1S(=O)(=O)NC[C@H](c1ccc(C)cc1)N1CCOCC1
InChIInChI=1S/C22H30N2O4S/c1-16-5-7-19(8-6-16)20(24-9-11-28-12-10-24)15-23-29(25,26)22-14-18(3)17(2)13-21(22)27-4/h5-8,13-14,20,23H,9-12,15H2,1-4H3/t20-/m1/s1
InChIKeyZBYNKLKMIUEUJU-HXUWFJFHSA-N
MW418.56 g/mol
LogP2.97
Rot. Bonds7

About 2-methoxy-4,5-dimethyl-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide

2-methoxy-4,5-dimethyl-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide (PubChem CID 9125340) has the molecular formula C22H30N2O4S and a molecular weight of 418.56 g/mol. Its IUPAC name is 2-methoxy-4,5-dimethyl-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-4,5-dimethyl-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide
PubChem CID9125340
Molecular FormulaC22H30N2O4S
Molecular Weight418.56 g/mol
Exact Mass418.19
IUPAC Name2-methoxy-4,5-dimethyl-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide
SMILESCOc1cc(C)c(C)cc1S(=O)(=O)NC[C@H](c1ccc(C)cc1)N1CCOCC1
InChIInChI=1S/C22H30N2O4S/c1-16-5-7-19(8-6-16)20(24-9-11-28-12-10-24)15-23-29(25,26)22-14-18(3)17(2)13-21(22)27-4/h5-8,13-14,20,23H,9-12,15H2,1-4H3/t20-/m1/s1
InChIKeyZBYNKLKMIUEUJU-HXUWFJFHSA-N
XLogP2.97
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.56
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-4,5-dimethyl-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide
CID 22694281
5-fluoro-2-methoxy-N-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide
CID 30835930
2-methoxy-4,5-dimethyl-N-[(2S)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethyl]benzenesulfonamide
CID 30578352
4-fluoro-2-methyl-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide
CID 44903236
N-[(2R)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 7498118
N-[(2R)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-2,4,5-trimethylbenzenesulfonamide
CID 7498215
2-methoxy-4,5-dimethyl-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]benzenesulfonamide
CID 9125339
2-methoxy-5-methyl-N-[(2S)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethyl]benzenesulfonamide
CID 30578331
2,3-dimethyl-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]-5-nitrobenzenesulfonamide
CID 60530226
6-methyl-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]quinoline-8-sulfonamide
CID 51966441
N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]propane-1-sulfonamide
CID 112503641
N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ylethyl]-5-fluoro-2-methoxybenzenesulfonamide
CID 30673567

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4,5-dimethyl-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide?
The IUPAC name of 2-methoxy-4,5-dimethyl-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide (CID 9125340) is 2-methoxy-4,5-dimethyl-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide.
What is the SMILES notation for 2-methoxy-4,5-dimethyl-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide?
The canonical SMILES for 2-methoxy-4,5-dimethyl-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide is COc1cc(C)c(C)cc1S(=O)(=O)NC[C@H](c1ccc(C)cc1)N1CCOCC1.
What is the InChIKey of 2-methoxy-4,5-dimethyl-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide?
The InChIKey is ZBYNKLKMIUEUJU-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H30N2O4S/c1-16-5-7-19(8-6-16)20(24-9-11-28-12-10-24)15-23-29(25,26)22-14-18(3)17(2)13-21(22)27-4/h5-8,13-14,20,23H,9-12,15H2,1-4H3/t20-/m1/s1.
What are the key properties of 2-methoxy-4,5-dimethyl-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide?
2-methoxy-4,5-dimethyl-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide has a molecular weight of 418.56 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4,5-dimethyl-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide is sourced from PubChem (CID 9125340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).