2-methoxy-N-(3-methoxypropyl)-4-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide

C18H30N2O4S — CID 70785473

IUPAC2-methoxy-N-(3-methoxypropyl)-4-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
SMILESCOCCCN(C1CCN(C)CC1)S(=O)(=O)c1ccc(C)cc1OC
InChIInChI=1S/C18H30N2O4S/c1-15-6-7-18(17(14-15)24-4)25(21,22)20(10-5-13-23-3)16-8-11-19(2)12-9-16/h6-7,14,16H,5,8-13H2,1-4H3
InChIKeyYXOXTCOTDYHRLZ-UHFFFAOYSA-N
MW370.52 g/mol
LogP2.13
Rot. Bonds8

About 2-methoxy-N-(3-methoxypropyl)-4-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide

2-methoxy-N-(3-methoxypropyl)-4-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide (PubChem CID 70785473) has the molecular formula C18H30N2O4S and a molecular weight of 370.52 g/mol. Its IUPAC name is 2-methoxy-N-(3-methoxypropyl)-4-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-N-(3-methoxypropyl)-4-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
PubChem CID70785473
Molecular FormulaC18H30N2O4S
Molecular Weight370.52 g/mol
Exact Mass370.19
IUPAC Name2-methoxy-N-(3-methoxypropyl)-4-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
SMILESCOCCCN(C1CCN(C)CC1)S(=O)(=O)c1ccc(C)cc1OC
InChIInChI=1S/C18H30N2O4S/c1-15-6-7-18(17(14-15)24-4)25(21,22)20(10-5-13-23-3)16-8-11-19(2)12-9-16/h6-7,14,16H,5,8-13H2,1-4H3
InChIKeyYXOXTCOTDYHRLZ-UHFFFAOYSA-N
XLogP2.13
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(3-methoxypropyl)-4-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide?
The IUPAC name of 2-methoxy-N-(3-methoxypropyl)-4-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide (CID 70785473) is 2-methoxy-N-(3-methoxypropyl)-4-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide.
What is the SMILES notation for 2-methoxy-N-(3-methoxypropyl)-4-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide?
The canonical SMILES for 2-methoxy-N-(3-methoxypropyl)-4-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide is COCCCN(C1CCN(C)CC1)S(=O)(=O)c1ccc(C)cc1OC.
What is the InChIKey of 2-methoxy-N-(3-methoxypropyl)-4-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide?
The InChIKey is YXOXTCOTDYHRLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O4S/c1-15-6-7-18(17(14-15)24-4)25(21,22)20(10-5-13-23-3)16-8-11-19(2)12-9-16/h6-7,14,16H,5,8-13H2,1-4H3.
What are the key properties of 2-methoxy-N-(3-methoxypropyl)-4-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide?
2-methoxy-N-(3-methoxypropyl)-4-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide has a molecular weight of 370.52 g/mol, XLogP of 2.13, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(3-methoxypropyl)-4-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide is sourced from PubChem (CID 70785473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).