4-methyl-N-[2-oxo-2-[3-(phenylmethoxymethyl)piperidin-1-yl]ethyl]benzenesulfonamide

C22H28N2O4S — CID 142630178

IUPAC4-methyl-N-[2-oxo-2-[3-(phenylmethoxymethyl)piperidin-1-yl]ethyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCC(=O)N2CCCC(COCc3ccccc3)C2)cc1
InChIInChI=1S/C22H28N2O4S/c1-18-9-11-21(12-10-18)29(26,27)23-14-22(25)24-13-5-8-20(15-24)17-28-16-19-6-3-2-4-7-19/h2-4,6-7,9-12,20,23H,5,8,13-17H2,1H3
InChIKeyRUNVDJFLTKGGIW-UHFFFAOYSA-N
MW416.54 g/mol
LogP2.73
Rot. Bonds8

About 4-methyl-N-[2-oxo-2-[3-(phenylmethoxymethyl)piperidin-1-yl]ethyl]benzenesulfonamide

4-methyl-N-[2-oxo-2-[3-(phenylmethoxymethyl)piperidin-1-yl]ethyl]benzenesulfonamide (PubChem CID 142630178) has the molecular formula C22H28N2O4S and a molecular weight of 416.54 g/mol. Its IUPAC name is 4-methyl-N-[2-oxo-2-[3-(phenylmethoxymethyl)piperidin-1-yl]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[2-oxo-2-[3-(phenylmethoxymethyl)piperidin-1-yl]ethyl]benzenesulfonamide
PubChem CID142630178
Molecular FormulaC22H28N2O4S
Molecular Weight416.54 g/mol
Exact Mass416.18
IUPAC Name4-methyl-N-[2-oxo-2-[3-(phenylmethoxymethyl)piperidin-1-yl]ethyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCC(=O)N2CCCC(COCc3ccccc3)C2)cc1
InChIInChI=1S/C22H28N2O4S/c1-18-9-11-21(12-10-18)29(26,27)23-14-22(25)24-13-5-8-20(15-24)17-28-16-19-6-3-2-4-7-19/h2-4,6-7,9-12,20,23H,5,8,13-17H2,1H3
InChIKeyRUNVDJFLTKGGIW-UHFFFAOYSA-N
XLogP2.73
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.54
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[3-[(4-cyanophenyl)methoxymethyl]piperidin-1-yl]-2-oxoethyl]-4-methylbenzenesulfonamide
CID 142630155
N-[2-[3-[(4-cyanophenyl)methoxymethyl]piperidin-1-yl]-2-oxoethyl]naphthalene-2-sulfonamide
CID 142630208
N-(4-methylphenyl)-3-(phenylmethoxymethyl)piperidine-1-carboxamide
CID 90505534
3-amino-N-[2-[3-[(4-cyanophenyl)methoxymethyl]piperidin-1-yl]-2-oxoethyl]benzenesulfonamide
CID 142630198
N-[[(3S)-1-(2-phenylmethoxyacetyl)piperidin-3-yl]methyl]methanesulfonamide
CID 94029580
1-[3-(phenylmethoxymethyl)piperidin-1-yl]-2-propylpentan-1-one
CID 90505130
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-4-methylbenzenesulfonamide
CID 1006322
N-[[1-(4-amino-3-methoxybutanoyl)piperidin-3-yl]methyl]-4-methylbenzenesulfonamide;hydrochloride
CID 120591312
4-methyl-N-[[(3S)-1-(2-naphthalen-2-ylacetyl)piperidin-3-yl]methyl]benzenesulfonamide
CID 52522304
(1-methylsulfonylpiperidin-4-yl)-[3-(phenylmethoxymethyl)piperidin-1-yl]methanone
CID 90505242
1-[3-(methoxymethyl)piperidin-1-yl]-2-phenylethanone
CID 90504984
2-(2-chloro-6-fluorophenyl)-1-[3-(phenylmethoxymethyl)piperidin-1-yl]ethanone
CID 90505258

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-oxo-2-[3-(phenylmethoxymethyl)piperidin-1-yl]ethyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[2-oxo-2-[3-(phenylmethoxymethyl)piperidin-1-yl]ethyl]benzenesulfonamide (CID 142630178) is 4-methyl-N-[2-oxo-2-[3-(phenylmethoxymethyl)piperidin-1-yl]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[2-oxo-2-[3-(phenylmethoxymethyl)piperidin-1-yl]ethyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[2-oxo-2-[3-(phenylmethoxymethyl)piperidin-1-yl]ethyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)NCC(=O)N2CCCC(COCc3ccccc3)C2)cc1.
What is the InChIKey of 4-methyl-N-[2-oxo-2-[3-(phenylmethoxymethyl)piperidin-1-yl]ethyl]benzenesulfonamide?
The InChIKey is RUNVDJFLTKGGIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4S/c1-18-9-11-21(12-10-18)29(26,27)23-14-22(25)24-13-5-8-20(15-24)17-28-16-19-6-3-2-4-7-19/h2-4,6-7,9-12,20,23H,5,8,13-17H2,1H3.
What are the key properties of 4-methyl-N-[2-oxo-2-[3-(phenylmethoxymethyl)piperidin-1-yl]ethyl]benzenesulfonamide?
4-methyl-N-[2-oxo-2-[3-(phenylmethoxymethyl)piperidin-1-yl]ethyl]benzenesulfonamide has a molecular weight of 416.54 g/mol, XLogP of 2.73, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-oxo-2-[3-(phenylmethoxymethyl)piperidin-1-yl]ethyl]benzenesulfonamide is sourced from PubChem (CID 142630178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).