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

C18H30N2O4S — CID 16887649

IUPAC4-methoxy-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3,5-dimethylbenzenesulfonamide
SMILESCOCCN1CCC(CNS(=O)(=O)c2cc(C)c(OC)c(C)c2)CC1
InChIInChI=1S/C18H30N2O4S/c1-14-11-17(12-15(2)18(14)24-4)25(21,22)19-13-16-5-7-20(8-6-16)9-10-23-3/h11-12,16,19H,5-10,13H2,1-4H3
InChIKeyXZONBWMHDCWVMN-UHFFFAOYSA-N
MW370.52 g/mol
LogP1.95
Rot. Bonds8

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

4-methoxy-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3,5-dimethylbenzenesulfonamide (PubChem CID 16887649) has the molecular formula C18H30N2O4S and a molecular weight of 370.52 g/mol. Its IUPAC name is 4-methoxy-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3,5-dimethylbenzenesulfonamide
PubChem CID16887649
Molecular FormulaC18H30N2O4S
Molecular Weight370.52 g/mol
Exact Mass370.19
IUPAC Name4-methoxy-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3,5-dimethylbenzenesulfonamide
SMILESCOCCN1CCC(CNS(=O)(=O)c2cc(C)c(OC)c(C)c2)CC1
InChIInChI=1S/C18H30N2O4S/c1-14-11-17(12-15(2)18(14)24-4)25(21,22)19-13-16-5-7-20(8-6-16)9-10-23-3/h11-12,16,19H,5-10,13H2,1-4H3
InChIKeyXZONBWMHDCWVMN-UHFFFAOYSA-N
XLogP1.95
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 16887608
N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-propylbenzenesulfonamide
CID 16887611
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-methylphenyl)methanesulfonamide
CID 16887671
N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1-(3-methylphenyl)methanesulfonamide
CID 16887670
4-ethoxy-3,5-dimethyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 16888327
N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1-(4-methoxyphenyl)methanesulfonamide
CID 16887679
2,3,5,6-tetramethyl-N-[(1-propylpiperidin-4-yl)methyl]benzenesulfonamide
CID 52858023
3,4,5-trimethoxy-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]benzamide
CID 16895501
4-methoxy-3,5-dimethyl-N-[[(6S)-1,4-oxazepan-6-yl]methyl]benzenesulfonamide
CID 95868947
1-(3-fluorophenyl)-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]methanesulfonamide
CID 16887673

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3,5-dimethylbenzenesulfonamide?
The IUPAC name of 4-methoxy-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3,5-dimethylbenzenesulfonamide (CID 16887649) is 4-methoxy-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3,5-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3,5-dimethylbenzenesulfonamide?
The canonical SMILES for 4-methoxy-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3,5-dimethylbenzenesulfonamide is COCCN1CCC(CNS(=O)(=O)c2cc(C)c(OC)c(C)c2)CC1.
What is the InChIKey of 4-methoxy-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3,5-dimethylbenzenesulfonamide?
The InChIKey is XZONBWMHDCWVMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O4S/c1-14-11-17(12-15(2)18(14)24-4)25(21,22)19-13-16-5-7-20(8-6-16)9-10-23-3/h11-12,16,19H,5-10,13H2,1-4H3.
What are the key properties of 4-methoxy-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3,5-dimethylbenzenesulfonamide?
4-methoxy-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3,5-dimethylbenzenesulfonamide has a molecular weight of 370.52 g/mol, XLogP of 1.95, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 16887649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).