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

C18H30N2O4S — CID 16887637

IUPAC2-methoxy-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4,5-dimethylbenzenesulfonamide
SMILESCOCCN1CCC(CNS(=O)(=O)c2cc(C)c(C)cc2OC)CC1
InChIInChI=1S/C18H30N2O4S/c1-14-11-17(24-4)18(12-15(14)2)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
InChIKeyZSZOJTUUNTVRMR-UHFFFAOYSA-N
MW370.52 g/mol
LogP1.95
Rot. Bonds8

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

2-methoxy-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4,5-dimethylbenzenesulfonamide (PubChem CID 16887637) has the molecular formula C18H30N2O4S and a molecular weight of 370.52 g/mol. Its IUPAC name is 2-methoxy-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4,5-dimethylbenzenesulfonamide
PubChem CID16887637
Molecular FormulaC18H30N2O4S
Molecular Weight370.52 g/mol
Exact Mass370.19
IUPAC Name2-methoxy-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4,5-dimethylbenzenesulfonamide
SMILESCOCCN1CCC(CNS(=O)(=O)c2cc(C)c(C)cc2OC)CC1
InChIInChI=1S/C18H30N2O4S/c1-14-11-17(24-4)18(12-15(14)2)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
InChIKeyZSZOJTUUNTVRMR-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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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4,5-dimethylbenzenesulfonamide?
The IUPAC name of 2-methoxy-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4,5-dimethylbenzenesulfonamide (CID 16887637) is 2-methoxy-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4,5-dimethylbenzenesulfonamide.
What is the SMILES notation for 2-methoxy-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4,5-dimethylbenzenesulfonamide?
The canonical SMILES for 2-methoxy-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4,5-dimethylbenzenesulfonamide is COCCN1CCC(CNS(=O)(=O)c2cc(C)c(C)cc2OC)CC1.
What is the InChIKey of 2-methoxy-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4,5-dimethylbenzenesulfonamide?
The InChIKey is ZSZOJTUUNTVRMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O4S/c1-14-11-17(24-4)18(12-15(14)2)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 2-methoxy-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4,5-dimethylbenzenesulfonamide?
2-methoxy-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4,5-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 2-methoxy-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 16887637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).