N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2,5-dimethylbenzenesulfonamide

C22H30N2O3S — CID 26942652

IUPACN-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2,5-dimethylbenzenesulfonamide
SMILESCOc1ccc([C@@H](CNS(=O)(=O)c2cc(C)ccc2C)N2CCCCC2)cc1
InChIInChI=1S/C22H30N2O3S/c1-17-7-8-18(2)22(15-17)28(25,26)23-16-21(24-13-5-4-6-14-24)19-9-11-20(27-3)12-10-19/h7-12,15,21,23H,4-6,13-14,16H2,1-3H3/t21-/m1/s1
InChIKeyVJPAVARAWBIUOM-OAQYLSRUSA-N
MW402.56 g/mol
LogP3.82
Rot. Bonds7

About N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2,5-dimethylbenzenesulfonamide

N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2,5-dimethylbenzenesulfonamide (PubChem CID 26942652) has the molecular formula C22H30N2O3S and a molecular weight of 402.56 g/mol. Its IUPAC name is N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2,5-dimethylbenzenesulfonamide
PubChem CID26942652
Molecular FormulaC22H30N2O3S
Molecular Weight402.56 g/mol
Exact Mass402.20
IUPAC NameN-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2,5-dimethylbenzenesulfonamide
SMILESCOc1ccc([C@@H](CNS(=O)(=O)c2cc(C)ccc2C)N2CCCCC2)cc1
InChIInChI=1S/C22H30N2O3S/c1-17-7-8-18(2)22(15-17)28(25,26)23-16-21(24-13-5-4-6-14-24)19-9-11-20(27-3)12-10-19/h7-12,15,21,23H,4-6,13-14,16H2,1-3H3/t21-/m1/s1
InChIKeyVJPAVARAWBIUOM-OAQYLSRUSA-N
XLogP3.82
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.56
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2,4-dimethylbenzenesulfonamide
CID 46799908
N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2-methyl-5-nitrobenzenesulfonamide
CID 46799901
2,5-dimethoxy-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzenesulfonamide
CID 55352494
2-fluoro-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzenesulfonamide
CID 51169275
N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-methyl-3-nitrobenzenesulfonamide
CID 31481771
N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2-(trifluoromethyl)benzenesulfonamide
CID 55352459
4-bromo-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]benzenesulfonamide
CID 16553768
5-chloro-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]thiophene-2-sulfonamide
CID 41013159
N-[[2-(azepan-1-yl)-2-(4-methoxyphenyl)ethyl]sulfamoyl]propan-1-amine
CID 110620754
2-methoxy-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-5-nitrobenzenesulfonamide
CID 46457579
4-chloro-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzenesulfonamide
CID 42912923
N-[(2S)-2-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-4-methylbenzenesulfonamide
CID 30631098

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2,5-dimethylbenzenesulfonamide?
The IUPAC name of N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2,5-dimethylbenzenesulfonamide (CID 26942652) is N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2,5-dimethylbenzenesulfonamide is COc1ccc([C@@H](CNS(=O)(=O)c2cc(C)ccc2C)N2CCCCC2)cc1.
What is the InChIKey of N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2,5-dimethylbenzenesulfonamide?
The InChIKey is VJPAVARAWBIUOM-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H30N2O3S/c1-17-7-8-18(2)22(15-17)28(25,26)23-16-21(24-13-5-4-6-14-24)19-9-11-20(27-3)12-10-19/h7-12,15,21,23H,4-6,13-14,16H2,1-3H3/t21-/m1/s1.
What are the key properties of N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2,5-dimethylbenzenesulfonamide?
N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2,5-dimethylbenzenesulfonamide has a molecular weight of 402.56 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 26942652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).