3-[1-[(2-methoxyphenyl)methylamino]ethyl]-N-methylbenzenesulfonamide

C17H22N2O3S — CID 56824144

IUPAC3-[1-[(2-methoxyphenyl)methylamino]ethyl]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cccc(C(C)NCc2ccccc2OC)c1
InChIInChI=1S/C17H22N2O3S/c1-13(19-12-15-7-4-5-10-17(15)22-3)14-8-6-9-16(11-14)23(20,21)18-2/h4-11,13,18-19H,12H2,1-3H3
InChIKeyDBMASJRQJQKJIQ-UHFFFAOYSA-N
MW334.44 g/mol
LogP2.45
Rot. Bonds7

About 3-[1-[(2-methoxyphenyl)methylamino]ethyl]-N-methylbenzenesulfonamide

3-[1-[(2-methoxyphenyl)methylamino]ethyl]-N-methylbenzenesulfonamide (PubChem CID 56824144) has the molecular formula C17H22N2O3S and a molecular weight of 334.44 g/mol. Its IUPAC name is 3-[1-[(2-methoxyphenyl)methylamino]ethyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-[1-[(2-methoxyphenyl)methylamino]ethyl]-N-methylbenzenesulfonamide
PubChem CID56824144
Molecular FormulaC17H22N2O3S
Molecular Weight334.44 g/mol
Exact Mass334.14
IUPAC Name3-[1-[(2-methoxyphenyl)methylamino]ethyl]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cccc(C(C)NCc2ccccc2OC)c1
InChIInChI=1S/C17H22N2O3S/c1-13(19-12-15-7-4-5-10-17(15)22-3)14-8-6-9-16(11-14)23(20,21)18-2/h4-11,13,18-19H,12H2,1-3H3
InChIKeyDBMASJRQJQKJIQ-UHFFFAOYSA-N
XLogP2.45
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-3-[(1R)-1-[(2-methylphenyl)methylamino]ethyl]benzenesulfonamide
CID 95178243
3-[(1S)-1-[(2,3-dimethylphenyl)methylamino]ethyl]-N-methylbenzenesulfonamide
CID 95178250
N-[(2-methoxyphenyl)methyl]-1-(3-nitrophenyl)ethanamine
CID 43180569
3-[1-[(2-chloroquinolin-3-yl)methylamino]ethyl]-N-methylbenzenesulfonamide
CID 75395134
N-methyl-3-[1-(propylamino)ethyl]benzenesulfonamide
CID 43506750
1-(3,5-dimethylphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine
CID 78950239
1-(2-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine
CID 43177778
5-[(1S)-1-[(2-methoxyphenyl)methylamino]ethyl]-1,3-dihydrobenzimidazol-2-one
CID 95938822
N-[(2-methoxyphenyl)methyl]-3-methylbenzenesulfonamide
CID 3841493
1-(4-chloro-3-fluorophenyl)-N-[(2-methoxyphenyl)methyl]ethanamine
CID 82890179
(1R)-1-(3-chlorophenyl)-N-[(2-fluoro-3-methoxyphenyl)methyl]ethanamine
CID 104791968
2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 9307734

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(2-methoxyphenyl)methylamino]ethyl]-N-methylbenzenesulfonamide?
The IUPAC name of 3-[1-[(2-methoxyphenyl)methylamino]ethyl]-N-methylbenzenesulfonamide (CID 56824144) is 3-[1-[(2-methoxyphenyl)methylamino]ethyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for 3-[1-[(2-methoxyphenyl)methylamino]ethyl]-N-methylbenzenesulfonamide?
The canonical SMILES for 3-[1-[(2-methoxyphenyl)methylamino]ethyl]-N-methylbenzenesulfonamide is CNS(=O)(=O)c1cccc(C(C)NCc2ccccc2OC)c1.
What is the InChIKey of 3-[1-[(2-methoxyphenyl)methylamino]ethyl]-N-methylbenzenesulfonamide?
The InChIKey is DBMASJRQJQKJIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3S/c1-13(19-12-15-7-4-5-10-17(15)22-3)14-8-6-9-16(11-14)23(20,21)18-2/h4-11,13,18-19H,12H2,1-3H3.
What are the key properties of 3-[1-[(2-methoxyphenyl)methylamino]ethyl]-N-methylbenzenesulfonamide?
3-[1-[(2-methoxyphenyl)methylamino]ethyl]-N-methylbenzenesulfonamide has a molecular weight of 334.44 g/mol, XLogP of 2.45, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(2-methoxyphenyl)methylamino]ethyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 56824144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).