4-ethyl-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]benzenesulfonamide

C22H30N2O3S — CID 86959916

IUPAC4-ethyl-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)NCC2CCCN(C)C2c2ccc(OC)cc2)cc1
InChIInChI=1S/C22H30N2O3S/c1-4-17-7-13-21(14-8-17)28(25,26)23-16-19-6-5-15-24(2)22(19)18-9-11-20(27-3)12-10-18/h7-14,19,22-23H,4-6,15-16H2,1-3H3
InChIKeyIKUPPSSMIQTNBQ-UHFFFAOYSA-N
MW402.56 g/mol
LogP3.62
Rot. Bonds7

About 4-ethyl-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]benzenesulfonamide

4-ethyl-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]benzenesulfonamide (PubChem CID 86959916) has the molecular formula C22H30N2O3S and a molecular weight of 402.56 g/mol. Its IUPAC name is 4-ethyl-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-ethyl-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]benzenesulfonamide
PubChem CID86959916
Molecular FormulaC22H30N2O3S
Molecular Weight402.56 g/mol
Exact Mass402.20
IUPAC Name4-ethyl-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)NCC2CCCN(C)C2c2ccc(OC)cc2)cc1
InChIInChI=1S/C22H30N2O3S/c1-4-17-7-13-21(14-8-17)28(25,26)23-16-19-6-5-15-24(2)22(19)18-9-11-20(27-3)12-10-18/h7-14,19,22-23H,4-6,15-16H2,1-3H3
InChIKeyIKUPPSSMIQTNBQ-UHFFFAOYSA-N
XLogP3.62
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 ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-3-methylbutane-1-sulfonamide
CID 86959910
2-ethylsulfonyl-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]benzamide
CID 86954891
N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 133315978
4-ethyl-N-[(1-methylpiperidin-4-yl)methyl]benzenesulfonamide
CID 16887425
3-(4-fluorophenyl)-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]propanamide
CID 86954890
N-(cyclohexylmethyl)-4-ethylbenzenesulfonamide
CID 3776153
N-[[(2S,3S)-2-(4-methoxyphenyl)oxolan-3-yl]methyl]-4-methylbenzenesulfonamide
CID 122230316
4-acetyl-3-ethyl-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-5-methyl-1H-pyrrole-2-carboxamide
CID 86954989
N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-4-methylsulfinylbenzamide
CID 86958503
4-chloro-5-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methylamino]-2-methylpyridazin-3-one
CID 133315934
1-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-2-(2-methylpropyl)guanidine
CID 111814516
N-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-4-methoxybenzenesulfonamide
CID 40597436

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]benzenesulfonamide?
The IUPAC name of 4-ethyl-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]benzenesulfonamide (CID 86959916) is 4-ethyl-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-ethyl-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]benzenesulfonamide?
The canonical SMILES for 4-ethyl-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]benzenesulfonamide is CCc1ccc(S(=O)(=O)NCC2CCCN(C)C2c2ccc(OC)cc2)cc1.
What is the InChIKey of 4-ethyl-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]benzenesulfonamide?
The InChIKey is IKUPPSSMIQTNBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O3S/c1-4-17-7-13-21(14-8-17)28(25,26)23-16-19-6-5-15-24(2)22(19)18-9-11-20(27-3)12-10-18/h7-14,19,22-23H,4-6,15-16H2,1-3H3.
What are the key properties of 4-ethyl-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]benzenesulfonamide?
4-ethyl-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]benzenesulfonamide has a molecular weight of 402.56 g/mol, XLogP of 3.62, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 86959916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).