1-[4-(ethylaminomethyl)phenyl]-N-(4-methoxybutyl)methanesulfonamide

C15H26N2O3S — CID 106054025

IUPAC1-[4-(ethylaminomethyl)phenyl]-N-(4-methoxybutyl)methanesulfonamide
SMILESCCNCc1ccc(CS(=O)(=O)NCCCCOC)cc1
InChIInChI=1S/C15H26N2O3S/c1-3-16-12-14-6-8-15(9-7-14)13-21(18,19)17-10-4-5-11-20-2/h6-9,16-17H,3-5,10-13H2,1-2H3
InChIKeyXXHNLGWSXXLAGZ-UHFFFAOYSA-N
MW314.45 g/mol
LogP1.64
Rot. Bonds11

About 1-[4-(ethylaminomethyl)phenyl]-N-(4-methoxybutyl)methanesulfonamide

1-[4-(ethylaminomethyl)phenyl]-N-(4-methoxybutyl)methanesulfonamide (PubChem CID 106054025) has the molecular formula C15H26N2O3S and a molecular weight of 314.45 g/mol. Its IUPAC name is 1-[4-(ethylaminomethyl)phenyl]-N-(4-methoxybutyl)methanesulfonamide.

Molecular Properties

Compound Name1-[4-(ethylaminomethyl)phenyl]-N-(4-methoxybutyl)methanesulfonamide
PubChem CID106054025
Molecular FormulaC15H26N2O3S
Molecular Weight314.45 g/mol
Exact Mass314.17
IUPAC Name1-[4-(ethylaminomethyl)phenyl]-N-(4-methoxybutyl)methanesulfonamide
SMILESCCNCc1ccc(CS(=O)(=O)NCCCCOC)cc1
InChIInChI=1S/C15H26N2O3S/c1-3-16-12-14-6-8-15(9-7-14)13-21(18,19)17-10-4-5-11-20-2/h6-9,16-17H,3-5,10-13H2,1-2H3
InChIKeyXXHNLGWSXXLAGZ-UHFFFAOYSA-N
XLogP1.64
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(hydroxymethyl)phenyl]-N-(5-methoxypentyl)methanesulfonamide
CID 106002081
1-[4-(ethylaminomethyl)phenyl]-N-(2-propan-2-yloxyethyl)methanesulfonamide
CID 106077524
1-(4-chlorophenyl)-N-(3-methoxypropyl)methanesulfonamide
CID 18891255
5-(ethylaminomethyl)-N-(5-methoxypentyl)pyridine-2-sulfonamide
CID 106092686
1-[4-(ethylaminomethyl)phenyl]-N-(1-methoxybutan-2-yl)methanesulfonamide
CID 106068296
N-(4-methoxybutyl)-1-(3-methylphenyl)methanesulfonamide
CID 110418031
3-(ethylamino)-N-(5-methoxypentyl)propane-1-sulfonamide
CID 106092733
2-methoxy-N-(4-methoxybutyl)ethanesulfonamide
CID 110416443
2-(ethylaminomethyl)-N-(5-methoxypentyl)thiophene-3-sulfonamide
CID 106092756
5-(ethylaminomethyl)-N-(5-methoxypentyl)thiophene-2-sulfonamide
CID 106092710
3-(3-methoxypropylsulfamoylmethyl)benzoic acid
CID 43362620
1-[4-(ethylaminomethyl)phenyl]-N-(1H-pyrazol-4-ylmethyl)methanesulfonamide
CID 106016045

Frequently Asked Questions

What is the IUPAC name of 1-[4-(ethylaminomethyl)phenyl]-N-(4-methoxybutyl)methanesulfonamide?
The IUPAC name of 1-[4-(ethylaminomethyl)phenyl]-N-(4-methoxybutyl)methanesulfonamide (CID 106054025) is 1-[4-(ethylaminomethyl)phenyl]-N-(4-methoxybutyl)methanesulfonamide.
What is the SMILES notation for 1-[4-(ethylaminomethyl)phenyl]-N-(4-methoxybutyl)methanesulfonamide?
The canonical SMILES for 1-[4-(ethylaminomethyl)phenyl]-N-(4-methoxybutyl)methanesulfonamide is CCNCc1ccc(CS(=O)(=O)NCCCCOC)cc1.
What is the InChIKey of 1-[4-(ethylaminomethyl)phenyl]-N-(4-methoxybutyl)methanesulfonamide?
The InChIKey is XXHNLGWSXXLAGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3S/c1-3-16-12-14-6-8-15(9-7-14)13-21(18,19)17-10-4-5-11-20-2/h6-9,16-17H,3-5,10-13H2,1-2H3.
What are the key properties of 1-[4-(ethylaminomethyl)phenyl]-N-(4-methoxybutyl)methanesulfonamide?
1-[4-(ethylaminomethyl)phenyl]-N-(4-methoxybutyl)methanesulfonamide has a molecular weight of 314.45 g/mol, XLogP of 1.64, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(ethylaminomethyl)phenyl]-N-(4-methoxybutyl)methanesulfonamide is sourced from PubChem (CID 106054025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).