N-[2-[1-(2-phenoxyethylamino)ethyl]phenyl]methanesulfonamide

C17H22N2O3S — CID 75444196

IUPACN-[2-[1-(2-phenoxyethylamino)ethyl]phenyl]methanesulfonamide
SMILESCC(NCCOc1ccccc1)c1ccccc1NS(C)(=O)=O
InChIInChI=1S/C17H22N2O3S/c1-14(18-12-13-22-15-8-4-3-5-9-15)16-10-6-7-11-17(16)19-23(2,20)21/h3-11,14,18-19H,12-13H2,1-2H3
InChIKeyTURKVKWCWKKPIN-UHFFFAOYSA-N
MW334.44 g/mol
LogP2.79
Rot. Bonds8

About N-[2-[1-(2-phenoxyethylamino)ethyl]phenyl]methanesulfonamide

N-[2-[1-(2-phenoxyethylamino)ethyl]phenyl]methanesulfonamide (PubChem CID 75444196) has the molecular formula C17H22N2O3S and a molecular weight of 334.44 g/mol. Its IUPAC name is N-[2-[1-(2-phenoxyethylamino)ethyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[1-(2-phenoxyethylamino)ethyl]phenyl]methanesulfonamide
PubChem CID75444196
Molecular FormulaC17H22N2O3S
Molecular Weight334.44 g/mol
Exact Mass334.14
IUPAC NameN-[2-[1-(2-phenoxyethylamino)ethyl]phenyl]methanesulfonamide
SMILESCC(NCCOc1ccccc1)c1ccccc1NS(C)(=O)=O
InChIInChI=1S/C17H22N2O3S/c1-14(18-12-13-22-15-8-4-3-5-9-15)16-10-6-7-11-17(16)19-23(2,20)21/h3-11,14,18-19H,12-13H2,1-2H3
InChIKeyTURKVKWCWKKPIN-UHFFFAOYSA-N
XLogP2.79
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 52.79
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

N-(2-phenoxyethyl)-2-propan-2-ylaniline
CID 39357817
N-[(1R)-1-(2-bromophenyl)ethyl]-3-phenoxypropan-1-amine
CID 81383584
N-[1-[2-(methanesulfonamido)phenyl]ethyl]-3-propoxybenzamide
CID 55933853
2-(1-chloroethyl)-N-(2-phenoxyethyl)aniline
CID 65030325
N-[3-[1-[3-(3-chlorophenoxy)propylamino]ethyl]phenyl]methanesulfonamide
CID 75455958
(1R)-N-[2-(4-bromophenoxy)ethyl]-1-(2-methoxyphenyl)ethanamine
CID 81390396
(1S)-1-(4-methylphenyl)-N-(2-phenoxyethyl)ethanamine
CID 81357239
N-[2-(4-ethoxyphenoxy)ethyl]-1-phenylethanamine
CID 112798597
(1S)-1-(furan-2-yl)-N-(2-phenoxyethyl)ethanamine
CID 81400353
N-[2-(4-bromophenoxy)ethyl]-1-(2-methylphenyl)ethanamine
CID 63490336
(2R)-N-[(1R)-1-[2-(methanesulfonamido)phenyl]ethyl]-2-methylbutanamide
CID 94210718
2,4-dimethyl-N-(3-phenoxypropyl)pentan-3-amine
CID 112743218

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(2-phenoxyethylamino)ethyl]phenyl]methanesulfonamide?
The IUPAC name of N-[2-[1-(2-phenoxyethylamino)ethyl]phenyl]methanesulfonamide (CID 75444196) is N-[2-[1-(2-phenoxyethylamino)ethyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[2-[1-(2-phenoxyethylamino)ethyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[2-[1-(2-phenoxyethylamino)ethyl]phenyl]methanesulfonamide is CC(NCCOc1ccccc1)c1ccccc1NS(C)(=O)=O.
What is the InChIKey of N-[2-[1-(2-phenoxyethylamino)ethyl]phenyl]methanesulfonamide?
The InChIKey is TURKVKWCWKKPIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3S/c1-14(18-12-13-22-15-8-4-3-5-9-15)16-10-6-7-11-17(16)19-23(2,20)21/h3-11,14,18-19H,12-13H2,1-2H3.
What are the key properties of N-[2-[1-(2-phenoxyethylamino)ethyl]phenyl]methanesulfonamide?
N-[2-[1-(2-phenoxyethylamino)ethyl]phenyl]methanesulfonamide has a molecular weight of 334.44 g/mol, XLogP of 2.79, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(2-phenoxyethylamino)ethyl]phenyl]methanesulfonamide is sourced from PubChem (CID 75444196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).