4-[2-(4-benzylpiperidin-1-yl)-2-oxoethoxy]-N-phenylbenzenesulfonamide

C26H28N2O4S — CID 45375503

IUPAC4-[2-(4-benzylpiperidin-1-yl)-2-oxoethoxy]-N-phenylbenzenesulfonamide
SMILESO=C(COc1ccc(S(=O)(=O)Nc2ccccc2)cc1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C26H28N2O4S/c29-26(28-17-15-22(16-18-28)19-21-7-3-1-4-8-21)20-32-24-11-13-25(14-12-24)33(30,31)27-23-9-5-2-6-10-23/h1-14,22,27H,15-20H2
InChIKeyVGHWEAVABKVOFA-UHFFFAOYSA-N
MW464.59 g/mol
LogP4.35
Rot. Bonds8

About 4-[2-(4-benzylpiperidin-1-yl)-2-oxoethoxy]-N-phenylbenzenesulfonamide

4-[2-(4-benzylpiperidin-1-yl)-2-oxoethoxy]-N-phenylbenzenesulfonamide (PubChem CID 45375503) has the molecular formula C26H28N2O4S and a molecular weight of 464.59 g/mol. Its IUPAC name is 4-[2-(4-benzylpiperidin-1-yl)-2-oxoethoxy]-N-phenylbenzenesulfonamide.

Molecular Properties

Compound Name4-[2-(4-benzylpiperidin-1-yl)-2-oxoethoxy]-N-phenylbenzenesulfonamide
PubChem CID45375503
Molecular FormulaC26H28N2O4S
Molecular Weight464.59 g/mol
Exact Mass464.18
IUPAC Name4-[2-(4-benzylpiperidin-1-yl)-2-oxoethoxy]-N-phenylbenzenesulfonamide
SMILESO=C(COc1ccc(S(=O)(=O)Nc2ccccc2)cc1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C26H28N2O4S/c29-26(28-17-15-22(16-18-28)19-21-7-3-1-4-8-21)20-32-24-11-13-25(14-12-24)33(30,31)27-23-9-5-2-6-10-23/h1-14,22,27H,15-20H2
InChIKeyVGHWEAVABKVOFA-UHFFFAOYSA-N
XLogP4.35
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.59
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-benzylpiperidin-1-yl)-2-(4-methoxyphenoxy)ethanone
CID 740892
4-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-N-(4-methylphenyl)benzenesulfonamide
CID 3940989
4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethoxy]-N-phenylbenzenesulfonamide
CID 25250347
N-[1-(4-benzylpiperidin-1-yl)-1-oxo-3-phenylpropan-2-yl]-4-ethoxybenzenesulfonamide
CID 43889147
N-benzyl-4-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]benzenesulfonamide
CID 126202255
4-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethoxy]-N-phenylbenzenesulfonamide
CID 45375502
N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-4-bromobenzenesulfonamide
CID 126148662
N-cyclopentyl-4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]benzenesulfonamide
CID 45374149
1-(4-benzylpiperidin-1-yl)-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108942003
N-(3,5-dimethylphenyl)-4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]benzenesulfonamide
CID 4010850
2-(4-benzylpiperidin-1-yl)-5-[(4-ethoxyphenyl)sulfonylamino]benzoic acid;2,2,2-trifluoroacetic acid
CID 146054962
5-(4-benzylpiperidin-1-yl)-2-[(4-ethoxyphenyl)sulfonylamino]benzoic acid
CID 46325369

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-benzylpiperidin-1-yl)-2-oxoethoxy]-N-phenylbenzenesulfonamide?
The IUPAC name of 4-[2-(4-benzylpiperidin-1-yl)-2-oxoethoxy]-N-phenylbenzenesulfonamide (CID 45375503) is 4-[2-(4-benzylpiperidin-1-yl)-2-oxoethoxy]-N-phenylbenzenesulfonamide.
What is the SMILES notation for 4-[2-(4-benzylpiperidin-1-yl)-2-oxoethoxy]-N-phenylbenzenesulfonamide?
The canonical SMILES for 4-[2-(4-benzylpiperidin-1-yl)-2-oxoethoxy]-N-phenylbenzenesulfonamide is O=C(COc1ccc(S(=O)(=O)Nc2ccccc2)cc1)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 4-[2-(4-benzylpiperidin-1-yl)-2-oxoethoxy]-N-phenylbenzenesulfonamide?
The InChIKey is VGHWEAVABKVOFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O4S/c29-26(28-17-15-22(16-18-28)19-21-7-3-1-4-8-21)20-32-24-11-13-25(14-12-24)33(30,31)27-23-9-5-2-6-10-23/h1-14,22,27H,15-20H2.
What are the key properties of 4-[2-(4-benzylpiperidin-1-yl)-2-oxoethoxy]-N-phenylbenzenesulfonamide?
4-[2-(4-benzylpiperidin-1-yl)-2-oxoethoxy]-N-phenylbenzenesulfonamide has a molecular weight of 464.59 g/mol, XLogP of 4.35, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-benzylpiperidin-1-yl)-2-oxoethoxy]-N-phenylbenzenesulfonamide is sourced from PubChem (CID 45375503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).