5-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]-N-(2-methoxyphenyl)-2-methylbenzenesulfonamide

C22H28N2O4S — CID 2336291

IUPAC5-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]-N-(2-methoxyphenyl)-2-methylbenzenesulfonamide
SMILESCOc1ccccc1NS(=O)(=O)c1cc(C(=O)N2C[C@@H](C)C[C@H](C)C2)ccc1C
InChIInChI=1S/C22H28N2O4S/c1-15-11-16(2)14-24(13-15)22(25)18-10-9-17(3)21(12-18)29(26,27)23-19-7-5-6-8-20(19)28-4/h5-10,12,15-16,23H,11,13-14H2,1-4H3/t15-,16-/m0/s1
InChIKeyVFUQTHVFXSUIAI-HOTGVXAUSA-N
MW416.54 g/mol
LogP3.92
Rot. Bonds5

About 5-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]-N-(2-methoxyphenyl)-2-methylbenzenesulfonamide

5-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]-N-(2-methoxyphenyl)-2-methylbenzenesulfonamide (PubChem CID 2336291) has the molecular formula C22H28N2O4S and a molecular weight of 416.54 g/mol. Its IUPAC name is 5-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]-N-(2-methoxyphenyl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]-N-(2-methoxyphenyl)-2-methylbenzenesulfonamide
PubChem CID2336291
Molecular FormulaC22H28N2O4S
Molecular Weight416.54 g/mol
Exact Mass416.18
IUPAC Name5-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]-N-(2-methoxyphenyl)-2-methylbenzenesulfonamide
SMILESCOc1ccccc1NS(=O)(=O)c1cc(C(=O)N2C[C@@H](C)C[C@H](C)C2)ccc1C
InChIInChI=1S/C22H28N2O4S/c1-15-11-16(2)14-24(13-15)22(25)18-10-9-17(3)21(12-18)29(26,27)23-19-7-5-6-8-20(19)28-4/h5-10,12,15-16,23H,11,13-14H2,1-4H3/t15-,16-/m0/s1
InChIKeyVFUQTHVFXSUIAI-HOTGVXAUSA-N
XLogP3.92
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.54
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]-N-(2-methoxyphenyl)-2-methylbenzenesulfonamide with MolForge

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Related Compounds

5-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]-2-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 25390926
2-chloro-N-(2-methoxyphenyl)-5-(3-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 55347642
N-cyclopropyl-3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 7908217
N-(2-methoxyphenyl)-2-methyl-5-(1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)benzenesulfonamide
CID 41267765
N-(2,3-dimethylphenyl)-5-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2-methylbenzenesulfonamide
CID 2226912
N-(1-adamantyl)-3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 3257461
3-[(2-methoxyphenyl)sulfamoyl]-4-methyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide
CID 55364363
N-(2-methoxyphenyl)-4-(3-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 24816556
N-(2,3-dimethylphenyl)-3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 2687808
3-(2,6-dimethylmorpholine-4-carbonyl)-N-(2-methoxyphenyl)benzenesulfonamide
CID 24981051
N-[2-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]phenyl]-4-fluoro-2-methylbenzenesulfonamide
CID 2360003
4-methoxy-3-[(2-methoxyphenyl)sulfamoyl]benzoic acid
CID 777278

Frequently Asked Questions

What is the IUPAC name of 5-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]-N-(2-methoxyphenyl)-2-methylbenzenesulfonamide?
The IUPAC name of 5-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]-N-(2-methoxyphenyl)-2-methylbenzenesulfonamide (CID 2336291) is 5-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]-N-(2-methoxyphenyl)-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]-N-(2-methoxyphenyl)-2-methylbenzenesulfonamide?
The canonical SMILES for 5-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]-N-(2-methoxyphenyl)-2-methylbenzenesulfonamide is COc1ccccc1NS(=O)(=O)c1cc(C(=O)N2C[C@@H](C)C[C@H](C)C2)ccc1C.
What is the InChIKey of 5-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]-N-(2-methoxyphenyl)-2-methylbenzenesulfonamide?
The InChIKey is VFUQTHVFXSUIAI-HOTGVXAUSA-N. The full InChI is InChI=1S/C22H28N2O4S/c1-15-11-16(2)14-24(13-15)22(25)18-10-9-17(3)21(12-18)29(26,27)23-19-7-5-6-8-20(19)28-4/h5-10,12,15-16,23H,11,13-14H2,1-4H3/t15-,16-/m0/s1.
What are the key properties of 5-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]-N-(2-methoxyphenyl)-2-methylbenzenesulfonamide?
5-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]-N-(2-methoxyphenyl)-2-methylbenzenesulfonamide has a molecular weight of 416.54 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]-N-(2-methoxyphenyl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 2336291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).