N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2,3,4,5,6-pentamethylbenzenesulfonamide

C20H34N2O3S — CID 16887608

IUPACN-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2,3,4,5,6-pentamethylbenzenesulfonamide
SMILESCOCCN1CCC(CNS(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)CC1
InChIInChI=1S/C20H34N2O3S/c1-14-15(2)17(4)20(18(5)16(14)3)26(23,24)21-13-19-7-9-22(10-8-19)11-12-25-6/h19,21H,7-13H2,1-6H3
InChIKeyRJJFWZDGGRSQLF-UHFFFAOYSA-N
MW382.57 g/mol
LogP2.87
Rot. Bonds7

About N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2,3,4,5,6-pentamethylbenzenesulfonamide

N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2,3,4,5,6-pentamethylbenzenesulfonamide (PubChem CID 16887608) has the molecular formula C20H34N2O3S and a molecular weight of 382.57 g/mol. Its IUPAC name is N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2,3,4,5,6-pentamethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2,3,4,5,6-pentamethylbenzenesulfonamide
PubChem CID16887608
Molecular FormulaC20H34N2O3S
Molecular Weight382.57 g/mol
Exact Mass382.23
IUPAC NameN-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2,3,4,5,6-pentamethylbenzenesulfonamide
SMILESCOCCN1CCC(CNS(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)CC1
InChIInChI=1S/C20H34N2O3S/c1-14-15(2)17(4)20(18(5)16(14)3)26(23,24)21-13-19-7-9-22(10-8-19)11-12-25-6/h19,21H,7-13H2,1-6H3
InChIKeyRJJFWZDGGRSQLF-UHFFFAOYSA-N
XLogP2.87
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.57
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2,3,4,5,6-pentamethylbenzenesulfonamide with MolForge

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Related Compounds

4-methoxy-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3,5-dimethylbenzenesulfonamide
CID 16887649
2,3,5,6-tetramethyl-N-[(1-propylpiperidin-4-yl)methyl]benzenesulfonamide
CID 52858023
N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1-(4-methylphenyl)methanesulfonamide
CID 16887671
N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-propylbenzenesulfonamide
CID 16887611
1-(difluoromethyl)-N-[[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-3,5-dimethylpyrazole-4-sulfonamide
CID 51597914
N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1-(3-methylphenyl)methanesulfonamide
CID 16887670
N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-1H-pyrazole-4-sulfonamide
CID 131915211
4-tert-butyl-N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]benzenesulfonamide
CID 131931555
N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1-(4-methoxyphenyl)methanesulfonamide
CID 16887679
N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-1-(4-methylphenyl)methanesulfonamide
CID 131897813
N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 56512850
1-(3-fluorophenyl)-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]methanesulfonamide
CID 16887673

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2,3,4,5,6-pentamethylbenzenesulfonamide?
The IUPAC name of N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2,3,4,5,6-pentamethylbenzenesulfonamide (CID 16887608) is N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2,3,4,5,6-pentamethylbenzenesulfonamide.
What is the SMILES notation for N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2,3,4,5,6-pentamethylbenzenesulfonamide?
The canonical SMILES for N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2,3,4,5,6-pentamethylbenzenesulfonamide is COCCN1CCC(CNS(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)CC1.
What is the InChIKey of N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2,3,4,5,6-pentamethylbenzenesulfonamide?
The InChIKey is RJJFWZDGGRSQLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N2O3S/c1-14-15(2)17(4)20(18(5)16(14)3)26(23,24)21-13-19-7-9-22(10-8-19)11-12-25-6/h19,21H,7-13H2,1-6H3.
What are the key properties of N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2,3,4,5,6-pentamethylbenzenesulfonamide?
N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2,3,4,5,6-pentamethylbenzenesulfonamide has a molecular weight of 382.57 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2,3,4,5,6-pentamethylbenzenesulfonamide is sourced from PubChem (CID 16887608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).