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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-fluoro-N-(3-methoxypropyl)-4-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 70733213
4-methoxy-N-(2-methoxyethyl)-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 4691018
N-[2-(dimethylamino)ethyl]-2-methoxy-5-methyl-N-(oxan-4-yl)benzenesulfonamide
CID 90607203
4-cyano-N-cyclopropyl-N-[3-(2,5-dimethylphenoxy)propyl]benzenesulfonamide
CID 60522568
N-[(3R)-1,1-dioxothiolan-3-yl]-2,4-dimethyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 129375071
2-methoxy-4-methyl-1-methylsulfonylbenzene
CID 23546847
N-butyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2,4-dimethylbenzenesulfonamide
CID 129370557
N-(azetidin-3-yl)-2,4-dimethoxy-N-propylbenzenesulfonamide
CID 66214874
2,5-dibromo-N-cyclopropyl-N-(2-methoxyethyl)-4-methylbenzenesulfonamide
CID 80708665
2-chloro-N-cyclobutyl-N-(2-hydroxyethyl)-4-methylbenzenesulfonamide
CID 102675724
4-(2-methoxyethyl)-8-(2-methoxy-4-methylphenyl)sulfonyl-1-oxa-8-azaspiro[4.5]decane
CID 133140359
1-[2-[4-[cyclopropyl-(2-methoxy-4-methylphenyl)sulfonylamino]piperidin-1-yl]ethyl]-3-(2,6-dimethyl-4-pyridinyl)urea
CID 11295284

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).