N-[2-[2-(diethylamino)ethoxy]ethyl]-1-(3-methylphenyl)methanesulfonamide

C16H28N2O3S — CID 110425166

IUPACN-[2-[2-(diethylamino)ethoxy]ethyl]-1-(3-methylphenyl)methanesulfonamide
SMILESCCN(CC)CCOCCNS(=O)(=O)Cc1cccc(C)c1
InChIInChI=1S/C16H28N2O3S/c1-4-18(5-2)10-12-21-11-9-17-22(19,20)14-16-8-6-7-15(3)13-16/h6-8,13,17H,4-5,9-12,14H2,1-3H3
InChIKeyQPMDHKZHKDEOOP-UHFFFAOYSA-N
MW328.48 g/mol
LogP1.77
Rot. Bonds11

About N-[2-[2-(diethylamino)ethoxy]ethyl]-1-(3-methylphenyl)methanesulfonamide

N-[2-[2-(diethylamino)ethoxy]ethyl]-1-(3-methylphenyl)methanesulfonamide (PubChem CID 110425166) has the molecular formula C16H28N2O3S and a molecular weight of 328.48 g/mol. Its IUPAC name is N-[2-[2-(diethylamino)ethoxy]ethyl]-1-(3-methylphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[2-[2-(diethylamino)ethoxy]ethyl]-1-(3-methylphenyl)methanesulfonamide
PubChem CID110425166
Molecular FormulaC16H28N2O3S
Molecular Weight328.48 g/mol
Exact Mass328.18
IUPAC NameN-[2-[2-(diethylamino)ethoxy]ethyl]-1-(3-methylphenyl)methanesulfonamide
SMILESCCN(CC)CCOCCNS(=O)(=O)Cc1cccc(C)c1
InChIInChI=1S/C16H28N2O3S/c1-4-18(5-2)10-12-21-11-9-17-22(19,20)14-16-8-6-7-15(3)13-16/h6-8,13,17H,4-5,9-12,14H2,1-3H3
InChIKeyQPMDHKZHKDEOOP-UHFFFAOYSA-N
XLogP1.77
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.48
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3-aminophenyl)-N-[2-(diethylamino)ethyl]methanesulfonamide
CID 43255852
N-(4-methoxybutyl)-1-(3-methylphenyl)methanesulfonamide
CID 110418031
N-[2-[2-(diethylamino)ethoxy]ethyl]-4-ethylbenzenesulfonamide
CID 110425143
1-(3-cyanophenyl)-N-[3-(diethylamino)propyl]methanesulfonamide
CID 78863466
N-(4,4-dimethylpentyl)-1-(3-methylphenyl)methanesulfonamide
CID 110421112
N-(3-aminobutyl)-1-(3-methylphenyl)methanesulfonamide;hydrochloride
CID 119972396
N-[3-[ethyl-[(3-methylphenyl)methyl]amino]propyl]methanesulfonamide
CID 47077958
N-(2-amino-2-ethylbutyl)-1-(3-methylphenyl)methanesulfonamide
CID 119989766
ethyl N-[(3-methylphenyl)methylsulfonyl]carbamate
CID 175275781
(2Z)-N,2-dimethyl-N-[2-[(3-methylphenyl)methylsulfonylamino]ethyl]penta-2,4-dienamide
CID 167200416
N-[2-(diethylamino)ethyl]-2-(3-methylphenyl)acetamide
CID 17144542
N-[2-[2-(diethylamino)ethoxy]ethyl]-2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]acetamide
CID 110612676

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(diethylamino)ethoxy]ethyl]-1-(3-methylphenyl)methanesulfonamide?
The IUPAC name of N-[2-[2-(diethylamino)ethoxy]ethyl]-1-(3-methylphenyl)methanesulfonamide (CID 110425166) is N-[2-[2-(diethylamino)ethoxy]ethyl]-1-(3-methylphenyl)methanesulfonamide.
What is the SMILES notation for N-[2-[2-(diethylamino)ethoxy]ethyl]-1-(3-methylphenyl)methanesulfonamide?
The canonical SMILES for N-[2-[2-(diethylamino)ethoxy]ethyl]-1-(3-methylphenyl)methanesulfonamide is CCN(CC)CCOCCNS(=O)(=O)Cc1cccc(C)c1.
What is the InChIKey of N-[2-[2-(diethylamino)ethoxy]ethyl]-1-(3-methylphenyl)methanesulfonamide?
The InChIKey is QPMDHKZHKDEOOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3S/c1-4-18(5-2)10-12-21-11-9-17-22(19,20)14-16-8-6-7-15(3)13-16/h6-8,13,17H,4-5,9-12,14H2,1-3H3.
What are the key properties of N-[2-[2-(diethylamino)ethoxy]ethyl]-1-(3-methylphenyl)methanesulfonamide?
N-[2-[2-(diethylamino)ethoxy]ethyl]-1-(3-methylphenyl)methanesulfonamide has a molecular weight of 328.48 g/mol, XLogP of 1.77, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(diethylamino)ethoxy]ethyl]-1-(3-methylphenyl)methanesulfonamide is sourced from PubChem (CID 110425166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).